SCHEMBL87394

SCHEMBL87394

O=C(NC1=Nc2ccccc2C2=NCCN12)c1ccc(-n2cccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
KCNH2 Q12809 1/20 0.38
HDAC4 P56524 1/20 0.38
DGAT1 O75907 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
TP53 P04637 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
TNKS O95271 2/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
MAPT P10636 1/20 0.35
KDM1A O60341 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL86716 0.85 AOC2 (0.41) HDAC4MAPT
SCHEMBL87360 0.84 TDP1 (0.44) MAPT
SCHEMBL86871 0.84 PIK3CB (0.46) HDAC4ABCG2TP53TNKS2MAPT
SCHEMBL87388 0.83 MAPT (0.44) HDAC4MAPTDRD2HTR2ADRD3
SCHEMBL87019 0.83 HTT (0.43) ABCG2TP53MAPTRXFP1
SCHEMBL86842 0.83 MEN1 (0.39) HDAC4ABCG2MAPT
SCHEMBL87099 0.82 PTAFR (0.44) ABCG2TP53MAPTDRD2
SCHEMBL86942 0.82 NPC1 (0.44) TP53MAPTRXFP1DRD2
SCHEMBL87383 0.81 NPC1 (0.51) KDM1A
SCHEMBL12533693 0.80 DNMT1 (0.36) KCNH2MAPT

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 HRH3 125/4885KCNH2 2467/4885HDAC4 1978/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HRH3 755/4885KCNH2 734/4885HDAC4 2855/4885

“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.