SCHEMBL86837

SCHEMBL86837

O/C(=C\C1=Nc2ccc(O)cc2C2=NCCN12)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.36
GPR6 P46095 1/20 0.35
PKM P14618 1/20 0.34
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
TNF P01375 1/20 0.31
ESR1 P03372 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FTO Q9C0B1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL86456 0.91 HDAC8 (0.38) PTAFRGPR6PKMPIK3CBPIK3CG
SCHEMBL86459 0.89 HDAC8 (0.38) PTAFRGPR6PKMKMT2ACYP1A2
SCHEMBL86925 0.89 PKM (0.42) PTAFRGPR6PKML3MBTL1
SCHEMBL86775 0.87 PTAFR (0.39) PTAFRGPR6PKMPIK3CBPIK3CG
SCHEMBL86841 0.87 PTAFR (0.44) PTAFRGPR6PIK3CBPIK3CGKMT2A
SCHEMBL86455 0.86 TDP1 (0.41) PTAFRKMT2APOLBCYP1A1CYP1A2
SCHEMBL86773 0.86 PTAFR (0.40) PTAFRGPR6PKMPIK3CBPIK3CG
SCHEMBL15119587 0.85 GPR6 (0.37) PTAFRGPR6PKMPIK3CBPIK3CG
SCHEMBL87183 0.84 ALDH1A1 (0.43) KMT2APOLBMEN1RAB9AL3MBTL1
SCHEMBL81929 0.83 POLB (0.38) PTAFRGPR6POLBCYP1A1CYP1A2

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 119/4885GPR6 1325/4885PKM 2135/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTAFR 1757/4885GPR6 2112/4885PKM 1252/4885

“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.