SCHEMBL87134

SCHEMBL87134

O/C(=C\C1=Nc2cc(CN3CCOCC3)ccc2C2=NCCN12)c1ccc2[nH]cnc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CHEK1 O14757 4/20 0.33
CHUK O15111 2/20 0.33
MAPK8 P45983 2/20 0.33
CAMKK2 Q96RR4 2/20 0.33
INSR P06213 1/20 0.33
JAK2 O60674 1/20 0.32
CDK1 P06493 2/20 0.31
CDK2 P24941 2/20 0.31
AURKA O14965 1/20 0.31
CCNB1 P14635 1/20 0.31
AURKB Q96GD4 1/20 0.31
CDK7 P50613 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL29475048 0.86 PIK3CA (0.37) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL82608 0.86 PIK3CA (0.37) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL82609 0.86 PIK3CA (0.37) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL86847 0.81 PIK3CB (0.35) PTAFRRAB9ASMN1; SMN2HPGDHDAC8
SCHEMBL86835 0.79 PTAFR (0.41) PTAFRCCNCCDK8CHUKMAPK8
SCHEMBL86881 0.78 HDAC3 (0.31) HDAC3HDAC2HDAC8
SCHEMBL29475064 0.78 MAPT (0.35) SMN1; SMN2
SCHEMBL81377 0.78 MAPT (0.35) SMN1; SMN2
SCHEMBL81376 0.78 MAPT (0.35) SMN1; SMN2
SCHEMBL86849 0.78 PIK3CB (0.32)

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 PTAFR 119/4885CCNC 728/4885CDK8 387/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTAFR 1757/4885CCNC 45/4885CDK8 182/4885

“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.