SCHEMBL12377870

SCHEMBL12377870

Cc1cccc(-c2nnnn2C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 3/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.45
PIP4K2C Q8TBX8 1/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
ACLY P53396 1/20 0.43
KDR P35968 2/20 0.42
TEK Q02763 2/20 0.42

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
SCHEMBL7452483 0.85 ACLY (0.53) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1092164 0.84 SMN1; SMN2 (0.50) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL584175 0.84 SMN1; SMN2 (0.50) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30136797 0.84 SMN1; SMN2 (0.50) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL822762 0.82 SMN1; SMN2 (0.55) L3MBTL1ALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL14357027 0.81 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17148525 0.81 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12852974 0.81 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12879723 0.81 MEN1 (0.48) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL709274 0.80 SMN1; SMN2 (0.50) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-07-27 US disclosed
US-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20100048633-A1 Piperidine-4-acrylamides LEHR PHILIPP 2010-02-25 US disclosed
US-20100048633-A1 Piperidine-4-acrylamides LEHR PHILIPP 2010-02-25 US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
WO-2008092844-A1 PIPERIDIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC DISEASES NOVARTIS AG (CH) 2008-08-07 WO disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 L3MBTL1 4493/4885ALDH1A1 347/4885MEN1 1499/4885
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 L3MBTL1 1153/4885ALDH1A1 3586/4885MEN1 2458/4885
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO L3MBTL1 2524/4885ALDH1A1 153/4885MEN1 2626/4885
US-20100048633-A1 Piperidine-4-acrylamides CCR3, CCR1, CCR4 L3MBTL1 2679/4885ALDH1A1 197/4885MEN1 3710/4885
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 L3MBTL1 1078/4885ALDH1A1 3751/4885MEN1 2857/4885
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D L3MBTL1 2932/4885ALDH1A1 407/4885MEN1 765/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT L3MBTL1 2943/4885ALDH1A1 312/4885MEN1 2225/4885
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 L3MBTL1 1078/4885ALDH1A1 3751/4885MEN1 2857/4885

“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.