SCHEMBL87313

SCHEMBL87313

O=C(NC1=Nc2ccccc2C2=NCCN12)c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
HPGD P15428 1/20 0.44
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
GRM5 P41594 1/20 0.38
OPRD1 P41143 4/20 0.38
OPRK1 P41145 4/20 0.38
MAPK14 Q16539 1/20 0.37
HDAC1 Q13547 1/20 0.37
OPRM1 P35372 3/20 0.36
DNMT1 P26358 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL86871 0.86 PIK3CB (0.46) PIK3CBPIK3CGDNMT1RAD52UHRF1
SCHEMBL87019 0.83 HTT (0.43) KCNK3PIK3CBPIK3CGDNMT1RAD52
SCHEMBL86842 0.83 MEN1 (0.39) PIK3CBPIK3CGHDAC1DNMT1RAD52
SCHEMBL87099 0.82 PTAFR (0.44) HPGDDRD2DRD1PIK3CBPIK3CG
SCHEMBL86942 0.82 NPC1 (0.44) HPGDDRD2DRD1PTAFR
SCHEMBL87360 0.82 TDP1 (0.44) HPGDKCNK3KCNK9DNMT1RAD52
SCHEMBL86661 0.81 MAPT (0.48) PTAFR
SCHEMBL86990 0.81 NPC1 (0.39) PIK3CBPIK3CGDNMT1RAD52UHRF1
SCHEMBL86754 0.81 ALDH1A1 (0.48) HPGDDNMT1RAD52UHRF1
SCHEMBL86994 0.81 SMARCA2 (0.43) DRD2DRD1PIK3CBPIK3CGDNMT1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP 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 (2 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 EPHX2 1467/4885HPGD 1618/4885KCNK3 2480/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 EPHX2 2320/4885HPGD 3372/4885KCNK3 432/4885

“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.