SCHEMBL86975

SCHEMBL86975

O=C(NC1=Nc2ccccc2C2=NCCN12)c1c[nH]cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
DNMT1 P26358 1/20 0.36
RAD52 P43351 1/20 0.36
UHRF1 Q96T88 1/20 0.36
PTAFR P25105 9/20 0.34
EED O75530 2/20 0.34
DCAF15 Q66K64 1/20 0.34
F10 P00742 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL86728 0.84 L3MBTL1 (0.43) DNMT1RAD52UHRF1HDAC4HDAC8
SCHEMBL86942 0.81 NPC1 (0.44) SMARCA2PTAFREEDDCAF15F10
SCHEMBL86885 0.80 ALDH1A1 (0.47) MEN1KMT2A
SCHEMBL86883 0.80 ALDH1A1 (0.47) HDAC8MEN1KMT2A
SCHEMBL86871 0.80 PIK3CB (0.46) PIK3CBPIK3CGDNMT1RAD52UHRF1
SCHEMBL86754 0.80 ALDH1A1 (0.48) DNMT1RAD52UHRF1MEN1KMT2A
SCHEMBL86897 0.79 DNMT1 (0.42) SMARCA2PIK3CBPIK3CGDNMT1RAD52
SCHEMBL87105 0.79 PTAFR (0.43) PTAFRHDAC4HDAC8HDAC5MEN1
SCHEMBL86761 0.78 DNMT1 (0.40) SMARCA2PIK3CBPIK3CGDNMT1RAD52
SCHEMBL86992 0.78 HPGD (0.41) DNMT1RAD52UHRF1PTAFRMEN1

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 SMARCA2 3813/4885PIK3CB 5/4885PIK3CG 4/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 SMARCA2 3146/4885PIK3CB 570/4885PIK3CG 866/4885

“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.