SCHEMBL86838

SCHEMBL86838

CS(=O)(=O)Nc1cncc(C(=O)NC2=Nc3ccccc3C3=NCCN23)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
DHX9 Q08211 1/20 0.38
ALPL P05186 1/20 0.37
CCNC P24863 6/20 0.35
CDK8 P49336 6/20 0.35
HPGD P15428 1/20 0.35
CDK9 P50750 2/20 0.35
TLR8 Q9NR97 1/20 0.34
TSHR P16473 2/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PTAFR P25105 1/20 0.34
RIPK2 O43353 1/20 0.34
USP2 O75604 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
SCHEMBL86619 0.83 PIK3CB (0.40) CCNCCDK8TSHRPIK3CBPIK3CG
SCHEMBL81597 0.83 PIK3CB (0.38) CCNCCDK8HPGDTSHRPIK3CB
SCHEMBL86622 0.83 CCNC (0.39) CCNCCDK8TSHRPIK3CBPIK3CG
SCHEMBL86616 0.83 TDP1 (0.43) CCNCCDK8TLR8TSHRPTAFR
SCHEMBL86684 0.79 PTGS2 (0.41) NAMPTPIK3CBPIK3CGALDH1A1
SCHEMBL82510 0.79 HDAC1 (0.45) TSHRALDH1A1PTAFRUSP2
SCHEMBL86871 0.78 PIK3CB (0.46) PIK3CBPIK3CGALDH1A1PTAFR
Hydrochloric Acid SCHEMBL80801 0.78 HDAC1 (0.44) TSHRALDH1A1PTAFRUSP2
SCHEMBL86874 0.78 PIK3CB (0.35) CCNCCDK8TLR8PIK3CBPIK3CG
SCHEMBL86990 0.78 NPC1 (0.39) PIK3CBPIK3CGALDH1A1PTAFRUSP2

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 NAMPT 1080/4885DHX9 3502/4885ALPL 1470/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 NAMPT 1269/4885DHX9 2611/4885ALPL 3691/4885

“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.