SCHEMBL86565

SCHEMBL86565

COc1cc2c(cc1OC)C1=NCCN1C(NC(=O)c1cncc(C)c1)=N2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 7/20 0.39
ATM Q13315 1/20 0.38
SSTR5 P35346 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
APLNR P35414 1/20 0.34
PDE4D Q08499 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL82555 0.90 SMN1; SMN2 (0.35) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL86984 0.85 KDM4E (0.48) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL86571 0.84 SMN1; SMN2 (0.36) KDM4EKMT2ASMN1; SMN2
SCHEMBL86906 0.84 KDM4E (0.42) ATMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL86774 0.82 PTAFR (0.38) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL86830 0.82 MAPT (0.38) SSTR5KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL86908 0.79 KMT2A (0.36) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL86563 0.79 MAPT (0.39) KMT2ASMN1; SMN2RXFP1
SCHEMBL86574 0.79 MAPT (0.45) KDM4EALDH1A1SMN1; SMN2
SCHEMBL86995 0.78 GAA (0.43) KDM4EALDH1A1KMT2A

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 ACKR3 885/4885ATM 494/4885SSTR5 691/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 ACKR3 366/4885ATM 1724/4885SSTR5 844/4885

“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.