SCHEMBL86871

SCHEMBL86871

O=C(NC1=Nc2ccccc2C2=NCCN12)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
DNMT1 P26358 1/20 0.41
RAD52 P43351 1/20 0.41
UHRF1 Q96T88 1/20 0.41
PTAFR P25105 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
HDAC4 P56524 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
SCHEMBL86842 0.91 MEN1 (0.39) PIK3CBPIK3CGDNMT1RAD52UHRF1
SCHEMBL87019 0.91 HTT (0.43) PIK3CBPIK3CGDNMT1RAD52UHRF1
SCHEMBL86942 0.90 NPC1 (0.44) PTAFRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL87360 0.90 TDP1 (0.44) DNMT1RAD52UHRF1PTAFRSMN1; SMN2
SCHEMBL87099 0.90 PTAFR (0.44) PIK3CBPIK3CGDNMT1RAD52UHRF1
SCHEMBL86725 0.88 MEN1 (0.41) PIK3CBPIK3CGDNMT1RAD52UHRF1
SCHEMBL86840 0.88 SMN1; SMN2 (0.41) PIK3CBPIK3CGDNMT1RAD52UHRF1
SCHEMBL12533693 0.88 DNMT1 (0.36) PIK3CBPIK3CGDNMT1RAD52UHRF1
SCHEMBL82510 0.88 HDAC1 (0.45) PTAFRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL87126 0.88 KCNK3 (0.43) PIK3CBPIK3CGDNMT1RAD52UHRF1

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 4/4885DNMT1 2491/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PIK3CB 570/4885PIK3CG 866/4885DNMT1 4039/4885

“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.