SCHEMBL413618

SCHEMBL413618

O=Cc1cc(OC(F)F)cc(OC(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.57
ALDH1A3 P47895 1/20 0.38
ALDH1A1 P00352 6/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CCR6 P51684 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
GFER P55789 1/20 0.33
ADAM17 P78536 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SRC P12931 1/20 0.32
CYP2A6 P11509 1/20 0.32

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
SCHEMBL21945477 0.88 DRD1 (0.50) DRD1ALDH1A3ALDH1A1ALOX15MEN1
SCHEMBL24036554 0.86 DRD1 (0.49) DRD1ALDH1A3ALDH1A1ALOX15GFER
SCHEMBL2497078 0.86 DRD1 (0.49) DRD1ALDH1A3ALDH1A1MEN1LMNA
SCHEMBL25752940 0.83 DRD1 (0.46) DRD1ALDH1A3ALDH1A1MEN1LMNA
SCHEMBL29177359 0.80 DRD1 (0.44) DRD1ALDH1A1ALOX15MEN1LMNA
SCHEMBL29391855 0.79 DRD1 (0.68) DRD1ALDH1A1MEN1LMNAHPGD
SCHEMBL856123 0.79 DRD1 (0.68) DRD1ALDH1A1MEN1LMNAHPGD
SCHEMBL18002303 0.79 MAOA (0.60) DRD1ALDH1A1MEN1PKMKMT2A
SCHEMBL18002940 0.79 DRD1 (0.50) DRD1MAOAMAOB
SCHEMBL18002680 0.78 MAOB (0.62) DRD1NPC1RAB9AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
WO-2023085396-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE株式会社 2023-05-19 WO disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US 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-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-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-20080114017-A1 Novel Indolopyridines, Benzofuranopyridines and Benzothienopyridines 4SC AG (DE) 2008-05-15 US disclosed
EP-1844046-A1 NOVEL INDOLOPYRIDINES, BENZOFURANOPYRIDINES AND BENZOTHIENOPYRIDINES Nycomed GmbH (DE) 2007-10-17 EP disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2006079645-A1 NOVEL INDOLOPYRIDINES , BENZOFURANOPYRIDINES AND BENZOTHIENOPYRIDINES NYCOMED GMBH (DE) 2006-08-03 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 (6 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-20080114017-A1 Novel Indolopyridines, Benzofuranopyridines and Benzothienopyridines BAX, API5, AIFM1 DRD1 256/4885ALDH1A3 3075/4885ALDH1A1 2174/4885
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 DRD1 4670/4885ALDH1A3 3865/4885ALDH1A1 3144/4885
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 DRD1 109/4885ALDH1A3 3271/4885ALDH1A1 208/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 DRD1 4855/4885ALDH1A3 4308/4885ALDH1A1 4348/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 DRD1 4855/4885ALDH1A3 4308/4885ALDH1A1 4348/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 DRD1 4855/4885ALDH1A3 4308/4885ALDH1A1 4348/4885

“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.