SCHEMBL86781

SCHEMBL86781

O/C(=C\C1=Nc2ccccc2C2=NCCN12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.41
RAD52 P43351 1/20 0.41
UHRF1 Q96T88 1/20 0.41
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PTAFR P25105 11/20 0.39
EED O75530 2/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC4 P56524 1/20 0.37
MAOA P21397 1/20 0.37
DCAF15 Q66K64 1/20 0.36
SMARCA2 P51531 1/20 0.36

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
SCHEMBL87166 0.87 DNMT1 (0.41) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86500 0.87 PTAFR (0.42) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86484 0.82 PIK3CB (0.44) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86483 0.78 DNMT1 (0.38) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86777 0.78 DNMT1 (0.40) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86865 0.78 PTAFR (0.41) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86735 0.78 PTAFR (0.43) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL87160 0.77 PIK3CB (0.39) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86707 0.77 DNMT1 (0.37) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86854 0.77 DNMT1 (0.39) DNMT1RAD52UHRF1PIK3CBPIK3CG

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 10 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
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 DNMT1 2491/4885RAD52 3514/4885UHRF1 2897/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 DNMT1 4039/4885RAD52 3626/4885UHRF1 3593/4885

“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.