SCHEMBL86940

SCHEMBL86940

Cc1cc(C(=O)NC2=Nc3ccccc3C3=NCCN23)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
POLB P06746 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 5/20 0.36
PTAFR P25105 1/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
WDR5 P61964 1/20 0.34
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL87356 0.84 PTAFR (0.46) ALDH1A1POLBSMN1; SMN2MAPTPTAFR
SCHEMBL86877 0.84 CYP2D6 (0.46) ALDH1A1POLBSMN1; SMN2MAPTKMT2A
SCHEMBL86957 0.83 MAPT (0.50) ALDH1A1POLBSMN1; SMN2MAPTKMT2A
SCHEMBL86997 0.82 GAA (0.42) ALDH1A1SMN1; SMN2MAPTPTAFRKMT2A
SCHEMBL86640 0.81 CCNC (0.41) PTAFRPIK3CBPIK3CG
SCHEMBL87099 0.81 PTAFR (0.44) ALDH1A1POLBSMN1; SMN2MAPTPTAFR
SCHEMBL86871 0.81 PIK3CB (0.46) ALDH1A1POLBSMN1; SMN2MAPTPTAFR
SCHEMBL86674 0.81 NPC1 (0.49) POLBSMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL86994 0.80 SMARCA2 (0.43) MAPTPTAFRKMT2AMEN1PIK3CB
SCHEMBL86696 0.80 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2MAPTKMT2A

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 ALDH1A1 4300/4885POLB 1757/4885SMN1; SMN2 3659/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 ALDH1A1 798/4885POLB 1015/4885SMN1; SMN2 1755/4885

“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.