SCHEMBL86893

SCHEMBL86893

COc1ccc(CC(=O)NC2=Nc3ccccc3C3=NCCN23)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.49
GAA P10253 1/20 0.49
PTAFR P25105 2/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
CDK5 Q00535 4/20 0.43
CDK5R1 Q15078 4/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPK10 P53779 1/20 0.42
TP53 P04637 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL87108 0.85 GAA (0.47) GAAPTAFRMAPTALDH1A1RAB9A
SCHEMBL86758 0.82 PTAFR (0.41) GAAPTAFRMAPTALDH1A1RAB9A
SCHEMBL86998 0.81 SMN1; SMN2 (0.47) PTAFRMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL86759 0.80 TSHR (0.40) GAAPTAFRMAPTALDH1A1RAB9A
SCHEMBL86894 0.79 SMN1; SMN2 (0.49) GAAALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL87064 0.79 GAA (0.44) GAAPTAFRMAPTALDH1A1RAB9A
SCHEMBL86897 0.78 DNMT1 (0.42) PTAFRKMT2A
SCHEMBL87015 0.78 POLB (0.44) GAAMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL86875 0.77 PTAFR (0.46) GAAPTAFRMAPTALDH1A1RAB9A
SCHEMBL86683 0.75 PTAFR (0.56) GAAPTAFRMAPTALDH1A1SMN1; 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 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 KCNQ2 3585/4885GAA 1455/4885PTAFR 119/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 KCNQ2 1992/4885GAA 2583/4885PTAFR 1757/4885

“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.