SCHEMBL86908

SCHEMBL86908

CCC(=O)NC1=Nc2cc(OC)c(OC)cc2C2=NCCN12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
PTAFR P25105 2/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC4 P56524 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL86774 0.87 PTAFR (0.38) KMT2APOLBKDM4EALDH1A1GAA
SCHEMBL86803 0.80 KMT2A (0.49) KMT2APOLBALDH1A1GAAMAPT
SCHEMBL86995 0.79 GAA (0.43) KMT2APOLBKDM4EALDH1A1GAA
SCHEMBL82555 0.79 SMN1; SMN2 (0.35) KMT2APOLBKDM4EALDH1A1GAA
SCHEMBL86758 0.79 PTAFR (0.41) KMT2APOLBALDH1A1GAAPTAFR
SCHEMBL86984 0.79 KDM4E (0.48) KMT2APOLBKDM4EALDH1A1GAA
SCHEMBL86830 0.79 MAPT (0.38) KMT2AKDM4EMAPTSMN1; SMN2MEN1
SCHEMBL86563 0.76 MAPT (0.39) KMT2AHTTMAPTSMN1; SMN2
SCHEMBL86832 0.75 POLB (0.42) KMT2APOLBKDM4EALDH1A1GAA
SCHEMBL87113 0.72 ABCG2 (0.47) KMT2APOLBALDH1A1PTAFRMAPT

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-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

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 KMT2A 4598/4885POLB 1757/4885KDM4E 3603/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 KMT2A 1309/4885POLB 1015/4885KDM4E 4518/4885

“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.