SCHEMBL86688

SCHEMBL86688

NS(=O)(=O)c1ccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.41
USP28 Q96RU2 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA4 P22748 6/20 0.40
CA7 P43166 6/20 0.40
PYGL P06737 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CA12 O43570 2/20 0.38
MAOB P27338 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL86999 0.84 CA1 (0.47) PTGS2KMT2ACA1CA2CA4
SCHEMBL87105 0.84 PTAFR (0.43) KMT2AALDH1A1LMNAPOLBMAPT
SCHEMBL86961 0.78 NPC1 (0.39) ALDH1A1LMNAGAARAB9A
SCHEMBL86994 0.77 SMARCA2 (0.43) KMT2AMAPT
SCHEMBL86988 0.77 EGFR (0.42) LMNAGAAMAPTRAB9A
SCHEMBL87070 0.76 GAA (0.50) KMT2AALDH1A1LMNAGAAMAPT
SCHEMBL86679 0.75 ALDH1A1 (0.44) KMT2AALDH1A1LMNAGAAMAPT
SCHEMBL86942 0.75 NPC1 (0.44) KMT2AALDH1A1LMNAMAPTRAB9A
SCHEMBL86665 0.75 CASP3 (0.42) ALDH1A1GAAMAPT
SCHEMBL86610 0.75 PRKCI (0.49) KMT2AALDH1A1GAA

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 PTGS2 1097/4885USP28 3618/4885KMT2A 4598/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTGS2 3488/4885USP28 3190/4885KMT2A 1309/4885

“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.