SCHEMBL86619

SCHEMBL86619

O=C(O)c1cncc(C(=O)NC2=Nc3ccccc3C3=NCCN23)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CCNC P24863 6/20 0.39
CDK8 P49336 6/20 0.39
ALDH1A1 P00352 1/20 0.36
PTAFR P25105 3/20 0.35
DNMT1 P26358 1/20 0.35
RAD52 P43351 1/20 0.35
UHRF1 Q96T88 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
NPC1 O15118 1/20 0.34
AKR1C3 P42330 1/20 0.33
SMARCA2 P51531 1/20 0.33
TSHR P16473 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
SCHEMBL81597 0.89 PIK3CB (0.38) PIK3CBPIK3CGCCNCCDK8ALDH1A1
SCHEMBL86622 0.89 CCNC (0.39) PIK3CBPIK3CGCCNCCDK8ALDH1A1
SCHEMBL86616 0.87 TDP1 (0.43) CCNCCDK8PTAFRNPC1TSHR
SCHEMBL86871 0.86 PIK3CB (0.46) PIK3CBPIK3CGALDH1A1PTAFRDNMT1
Hydrochloric Acid SCHEMBL80801 0.84 HDAC1 (0.44) ALDH1A1PTAFRMEN1KMT2ANPC1
SCHEMBL86838 0.83 NAMPT (0.39) PIK3CBPIK3CGCCNCCDK8ALDH1A1
SCHEMBL12533965 0.81 ALDH1A1 (0.39) ALDH1A1PTAFRMEN1KMT2ANPC1
SCHEMBL86990 0.81 NPC1 (0.39) PIK3CBPIK3CGALDH1A1PTAFRDNMT1
SCHEMBL86842 0.81 MEN1 (0.39) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86640 0.81 CCNC (0.41) PIK3CBPIK3CGCCNCCDK8PTAFR

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 PIK3CB 5/4885PIK3CG 4/4885CCNC 728/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PIK3CB 570/4885PIK3CG 866/4885CCNC 45/4885

“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.