SCHEMBL86471

SCHEMBL86471

O/C(=C\C1=Nc2ccccc2C2=NCCN12)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 5/20 0.43
DNMT1 P26358 1/20 0.38
RAD52 P43351 1/20 0.38
UHRF1 Q96T88 1/20 0.38
POLB P06746 2/20 0.37
GPR6 P46095 1/20 0.36
EED O75530 1/20 0.36
DCAF15 Q66K64 1/20 0.36
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SMARCA2 P51531 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
SCHEMBL86707 0.83 DNMT1 (0.37) PTAFRDNMT1RAD52UHRF1GPR6
SCHEMBL86484 0.83 PIK3CB (0.44) PTAFRDNMT1RAD52UHRF1EED
SCHEMBL86904 0.81 DNMT1 (0.38) PTAFRDNMT1RAD52UHRF1EED
SCHEMBL86777 0.79 DNMT1 (0.40) PTAFRDNMT1RAD52UHRF1EED
SCHEMBL86735 0.79 PTAFR (0.43) PTAFRDNMT1RAD52UHRF1EED
SCHEMBL86854 0.78 DNMT1 (0.39) PTAFRDNMT1RAD52UHRF1EED
SCHEMBL86841 0.76 PTAFR (0.44) PTAFRDNMT1RAD52UHRF1GPR6
SCHEMBL86750 0.76 MAPT (0.46) PTAFRPOLBGPR6ALDH1A1TSHR
SCHEMBL87166 0.76 DNMT1 (0.41) PTAFRDNMT1RAD52UHRF1EED
SCHEMBL86781 0.76 DNMT1 (0.41) PTAFRDNMT1RAD52UHRF1EED

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 PTAFR 119/4885DNMT1 2491/4885RAD52 3514/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTAFR 1757/4885DNMT1 4039/4885RAD52 3626/4885

“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.