SCHEMBL86888

SCHEMBL86888

O=C(NC1=Nc2ccccc2C2=NCCN12)c1ccc([N+](=O)[O-])s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MITF O75030 3/20 0.48
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.46
HTT P42858 6/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 5/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.41
DDIT3 P35638 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PAX8 Q06710 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL86993 0.83 NPC1 (0.48) SMN1; SMN2HTTMAPTLMNAKMT2A
SCHEMBL87143 0.83 ALDH1A1 (0.41) SMN1; SMN2HTTMAPTLMNAKMT2A
SCHEMBL86696 0.82 ALDH1A1 (0.47) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL86997 0.82 GAA (0.42) SMN1; SMN2MAPTLMNAKMT2AL3MBTL1
SCHEMBL86877 0.81 CYP2D6 (0.46) MITFSMN1; SMN2MAPTLMNAKMT2A
SCHEMBL86661 0.79 MAPT (0.48) SMN1; SMN2HTTMAPTLMNAKMT2A
SCHEMBL86957 0.78 MAPT (0.50) SMN1; SMN2HTTMAPTLMNAKMT2A
SCHEMBL86940 0.77 ALDH1A1 (0.38) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL86871 0.77 PIK3CB (0.46) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL86897 0.76 DNMT1 (0.42) KMT2AMEN1

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 MITF 2153/4885HSP90AA1 1781/4885SMN1; SMN2 3659/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MITF 1281/4885HSP90AA1 2242/4885SMN1; 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.