SCHEMBL86616

SCHEMBL86616

COc1cncc(C(=O)NC2=Nc3ccccc3C3=NCCN23)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
PTAFR P25105 2/20 0.41
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACKR3 P25106 4/20 0.40
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
CLK2 P49760 3/20 0.38
CLK3 P49761 3/20 0.38
DYRK1A Q13627 3/20 0.38
GFER P55789 2/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL86998 0.92 SMN1; SMN2 (0.47) TDP1PTAFRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL86682 0.89 RAB9A (0.52) TDP1SMN1; SMN2TSHRNPC1TP53
SCHEMBL87108 0.88 GAA (0.47) PTAFRSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL86622 0.87 CCNC (0.39) PTAFRCCNCCDK8TSHR
SCHEMBL86619 0.87 PIK3CB (0.40) PTAFRCCNCCDK8TSHRNPC1
SCHEMBL81597 0.87 PIK3CB (0.38) PTAFRCCNCCDK8TSHR
SCHEMBL87356 0.83 PTAFR (0.46) PTAFRSMN1; SMN2CYP1A2CYP2C19TSHR
SCHEMBL87113 0.83 ABCG2 (0.47) PTAFRSMN1; SMN2NPC1RAB9A
SCHEMBL86683 0.83 PTAFR (0.56) PTAFRSMN1; SMN2CYP1A2TSHR
SCHEMBL87114 0.83 PTAFR (0.46) PTAFRSMN1; SMN2CYP1A2CYP2C19TSHR

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 10 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-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 TDP1 1233/4885PTAFR 119/4885CCNC 728/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 TDP1 2149/4885PTAFR 1757/4885CCNC 45/4885

“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.