SCHEMBL86602

SCHEMBL86602

COc1c(O)ccc2c1N=C(/C=C(\O)c1cccnc1)N1CCN=C21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
PTAFR P25105 2/20 0.34
GPR6 P46095 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A1 P04798 3/20 0.31
CYP1A2 P05177 3/20 0.31
CYP1B1 Q16678 3/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
THRB P10828 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31

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
Hydrochloric Acid SCHEMBL82600 0.99 TDP1 (0.34) TDP1PTAFRGPR6ALDH1A1CYP1A1
Hydrochloric Acid SCHEMBL82601 0.99 TDP1 (0.34) TDP1PTAFRGPR6ALDH1A1CYP1A1
SCHEMBL86657 0.91 CYP1A1 (0.39) TDP1PTAFRALDH1A1CYP1A1CYP1A2
SCHEMBL12533373 0.91 TDP1 (0.34) TDP1PTAFRGPR6ALDH1A1CYP1A1
SCHEMBL82158 0.91 CYP1A1 (0.39) TDP1PTAFRALDH1A1CYP1A1CYP1A2
SCHEMBL82157 0.91 CYP1A1 (0.39) TDP1PTAFRALDH1A1CYP1A1CYP1A2
SCHEMBL29475061 0.91 CYP1A1 (0.39) TDP1PTAFRALDH1A1CYP1A1CYP1A2
SCHEMBL86675 0.87 KMT2A (0.33) TDP1PTAFRALDH1A1CYP1A1CYP1A2
SCHEMBL86383 0.87 CYP1A1 (0.32) TDP1PTAFRGPR6ALDH1A1CYP1A1
SCHEMBL82253 0.86 KDM4E (0.32) TDP1PTAFRALDH1A1CYP1A1CYP1A2

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 TDP1 1233/4885PTAFR 119/4885GPR6 1325/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 TDP1 2149/4885PTAFR 1757/4885GPR6 2112/4885

“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.