SCHEMBL86835

SCHEMBL86835

O/C(=C\C1=Nc2cc(CN3CCOCC3)ccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.41
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
ROCK2 O75116 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
CHRM2 P08172 1/20 0.35
NOS1 P29475 1/20 0.34
AURKA O14965 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 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
SCHEMBL86669 0.85 PLOD2 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL86436 0.83 MAPT (0.47) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL87190 0.82 HDAC1 (0.39) KDM4EMEN1KMT2AALDH1A1
SCHEMBL86767 0.82 PTAFR (0.38) PTAFRKDM4EGAAROCK2SMN1; SMN2
SCHEMBL86448 0.81 HIF1A (0.42) PTAFRALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL87137 0.81 HDAC8 (0.40) PTAFRKDM4ETDP1ALDH1A1HTT
SCHEMBL86693 0.81 HDAC8 (0.40) PTAFRMEN1KMT2ATDP1ALDH1A1
SCHEMBL86449 0.81 HDAC8 (0.40) PTAFRKDM4EALDH1A1
SCHEMBL86773 0.80 PTAFR (0.40) PTAFRALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL87141 0.80 PTAFR (0.42) PTAFR

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 119/4885KDM4E 3603/4885MEN1 2685/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTAFR 1757/4885KDM4E 4518/4885MEN1 1133/4885

“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.