SCHEMBL1789896

SCHEMBL1789896

O=c1[nH]cnc2oc(-c3ccccc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.49
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
CA12 O43570 2/20 0.45
PARP1 P09874 2/20 0.45
CA9 Q16790 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
PDPK1 O15530 1/20 0.45
ALOX15 P16050 1/20 0.45
EGFR P00533 2/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL16564212 0.85 ALDH1A1 (0.49) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL20492643 0.85 PARP1 (0.49) RAB9APARP1TNKS2PDPK1EGFR
SCHEMBL26103326 0.85 PIM1 (0.49) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL20492740 0.79 ALDH1A1 (0.40) HPGDALDH1A1RAB9AKDM4EMEN1
SCHEMBL20492549 0.76 PARP1 (0.42) ALDH1A1KDM4ESMN1; SMN2CA12PARP1
SCHEMBL26103804 0.76 CYP1A1 (0.47) PARP1TNKS2TNKSCYP1B1IP6K1
SCHEMBL31470978 0.71 PARP1 (0.46) ALDH1A1SMN1; SMN2CA12PARP1CA9
SCHEMBL385054 0.71 GSK3B (0.72) HPGDALDH1A1RAB9AKDM4ENPC1
SCHEMBL1644987 0.70 CYP1B1 (0.63) HPGDALDH1A1RAB9AKDM4ENPC1
SCHEMBL7980737 0.69 ACVR1 (0.67) SMN1; SMN2CA12PARP1CA9TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
EP-2640392-B1 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2015-01-07 EP disclosed
US-8815879-B2 Substituted 4-(selenophen-2(or-3)-ylamino)pyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (US) 2014-08-26 US disclosed
US-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-10 US disclosed
EP-2640392-A2 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2013-09-25 EP disclosed
US-8507502-B2 Fused bicyclic and tricyclic pyrimidine compounds as tyrosine kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-08-13 US disclosed
US-8507502-B2 Fused bicyclic and tricyclic pyrimidine compounds as tyrosine kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-08-13 US disclosed
US-8507502-B2 Fused bicyclic and tricyclic pyrimidine compounds as tyrosine kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-08-13 US disclosed
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1966217-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 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 (1 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-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF RPS6, SULT1E1, SCLY HPGD 2289/4885ALDH1A1 2281/4885RAB9A 4454/4885

“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.