SCHEMBL1410166

SCHEMBL1410166

Cc1cc(Oc2ccc(N)c(F)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.42
NR4A1 P22736 1/20 0.41
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 4/20 0.37
UHRF1 Q96T88 1/20 0.37
MAPK14 Q16539 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
PPARG P37231 1/20 0.35
GCK P35557 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SOS1 Q07889 1/20 0.34
MAP4K4 O95819 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL23999891 0.85 NR4A1 (0.61) GRM2NR4A1DYRK1AALDH1A1UHRF1
SCHEMBL4794755 0.83 NR4A1 (0.44) GRM2NR4A1DYRK1AALDH1A1UHRF1
SCHEMBL12907980 0.83 GRM2 (0.43) GRM2DYRK1AUHRF1PPARGDRD1
SCHEMBL1137172 0.83 NOS3 (0.50) NR4A1DYRK1AALDH1A1MAPK14NOS3
SCHEMBL2028918 0.81 LOX (0.41) NR4A1DYRK1AALDH1A1MAPK14NOS3
SCHEMBL29834758 0.81 NR4A1 (0.41) NR4A1ALDH1A1MAPK14NOS3NOS1
SCHEMBL573471 0.81 NR4A1 (0.41) NR4A1ALDH1A1MAPK14PPARGSOS1
SCHEMBL3654965 0.81 EGFR (0.45) GRM2DYRK1AUHRF1PPARGSOS1
SCHEMBL29834775 0.81 NR4A1 (0.41) NR4A1ALDH1A1MAPK14PPARGSOS1
SCHEMBL863328 0.80 NR4A1 (0.61) NR4A1ALDH1A1SOS1MAP4K4SMN1; 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022261352-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-12-15 WO disclosed
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD (CN) 2015-06-25 US disclosed
US-8759531-B2 Preparation method of fluoro-substituted deuterated diphenylurea Suzhou Zelgen Biopharmaccceutical Co., Ltd. (CN) 2014-06-24 US disclosed
EP-1973897-B1 Substituted pyrimidine derivatives useful in the treatment of cancer and other disorders BAYER IP GMBH (DE) 2014-05-21 EP disclosed
US-8580798-B2 Substituted pyrimidine derivatives useful in the treatment of cancer and other disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-20130060043-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD (CN) 2013-03-07 US disclosed
US-8207166-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-06-26 US disclosed
US-8207166-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-06-26 US disclosed
US-8207166-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-06-26 US disclosed
EP-1751139-B1 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2011-07-27 EP disclosed
US-20100081812-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-04-01 US disclosed
WO-2008140895-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-11-20 WO disclosed
US-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 US disclosed
EP-1973897-A2 SUBSTITUTED PYRYMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer HealthCare AG (DE) 2008-10-01 EP disclosed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 US disclosed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 US disclosed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 US disclosed
WO-2007075650-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE AG (DE) 2007-07-05 WO disclosed
EP-1751139-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer Pharmaceuticals Corporation (US) 2007-02-14 EP disclosed
WO-2005110994-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-24 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 (5 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-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer UMPS, SLC14A1, TP53 GRM2 4630/4885NR4A1 2500/4885DYRK1A 4751/4885
US-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES BRAF, RET, KIT GRM2 1677/4885NR4A1 2643/4885DYRK1A 658/4885
US-20130060043-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA CCND3, UBE2D3, VDR GRM2 2648/4885NR4A1 1479/4885DYRK1A 1051/4885
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea CCND3, UBE2D3, VDR GRM2 2648/4885NR4A1 1479/4885DYRK1A 1051/4885
US-20100081812-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS TYMP, DPYD, TYMS GRM2 3717/4885NR4A1 1122/4885DYRK1A 1518/4885

“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.