SCHEMBL856074

SCHEMBL856074

O=Cc1c(F)cc(OCc2ccccc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.55
MAOB P27338 3/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
ALOX5 P09917 1/20 0.46
BCHE P06276 2/20 0.45
GSTP1 P09211 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31114075 0.91 NPC1 (0.50) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL20607956 0.90 MAOB (0.49) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL15487329 0.83 NPC1 (0.57) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL18526966 0.83 MAOA (0.51) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL742149 0.81 MAOB (0.56) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL210293 0.80 MAOA (0.55) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL515204 0.80 NPC1 (0.56) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL955846 0.79 MAOB (0.54) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL23413811 0.78 MAOA (0.50) MAOAMAOBMEN1KMT2ACCNB2
SCHEMBL1745424 0.78 MAOB (0.53) MAOAMAOBMEN1KMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428428-B2 Tricyclic tetrahydroisoquinoline derivative, preparation method therefor and application thereof in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2025-09-30 US disclosed
CN-116731064-A Tricyclic tetrahydroisoquinoline derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-09-12 CN disclosed
CN-114746424-B Tricyclic tetrahydroisoquinoline derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-06-16 CN disclosed
US-20230140679-A1 TRICYCLIC TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2023-05-04 US disclosed
CN-114746424-A Tricyclic tetrahydro isoquinoline derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-07-12 CN disclosed
WO-2021139756-A1 TRICYCLIC TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2021-07-15 WO disclosed
CN-106661031-B Pyrrolopyrimidine compounds or its salt, pharmaceutical composition and application containing it 大鹏药品工业株式会社 2019-07-23 CN disclosed
US-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND TAIHO PHARMACETUICAL CO., LTD. (JP) 2019-01-10 US disclosed
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 US disclosed
EP-3395345-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-31 EP disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 MAOA 4000/4885MAOB 4114/4885MEN1 4089/4885
US-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND MCL1, TP53, DPYD MAOA 4808/4885MAOB 4806/4885MEN1 2957/4885
US-12428428-B2 Tricyclic tetrahydroisoquinoline derivative, preparation method therefor and application thereof in medicine CYP19A1, GPER1, HSD17B11 MAOA 1454/4885MAOB 1224/4885MEN1 1443/4885
US-20230140679-A1 TRICYCLIC TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE CYP19A1, GPER1, HSD17B11 MAOA 1454/4885MAOB 1224/4885MEN1 1443/4885
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MAOA 4445/4885MAOB 4092/4885MEN1 1452/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 MAOA 4264/4885MAOB 3852/4885MEN1 2523/4885
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MAOA 4445/4885MAOB 4092/4885MEN1 1452/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MAOA 4445/4885MAOB 4092/4885MEN1 1452/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.