SCHEMBL86988

SCHEMBL86988

Cc1ccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
ACKR3 P25106 1/20 0.36
BRD4 O60885 1/20 0.35
SMARCA2 P51531 1/20 0.34
PTAFR P25105 4/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
DNMT1 P26358 1/20 0.34
RAD52 P43351 1/20 0.34
UHRF1 Q96T88 1/20 0.34
SORT1 Q99523 1/20 0.34
GAA P10253 1/20 0.33
EED O75530 1/20 0.32
DCAF15 Q66K64 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL87070 0.83 GAA (0.50) LMNAMAPTGAANPC1RAB9A
SCHEMBL87105 0.83 PTAFR (0.43) PTAFRLMNAMAPTNPC1RAB9A
SCHEMBL14041044 0.81 NPC1 (0.35) PTAFRLMNADNMT1RAD52UHRF1
SCHEMBL86961 0.79 NPC1 (0.39) PTAFRLMNADNMT1RAD52UHRF1
SCHEMBL86625 0.79 HDAC1 (0.41) ACKR3PTAFRMAPTDNMT1RAD52
SCHEMBL86615 0.79 TYK2 (0.38) ACKR3PTAFRMAPTDNMT1RAD52
SCHEMBL86609 0.79 P2RX7 (0.42) ACKR3PTAFRLMNAMAPTDNMT1
SCHEMBL86897 0.79 DNMT1 (0.42) SMARCA2PTAFRDNMT1RAD52UHRF1
SCHEMBL86679 0.78 ALDH1A1 (0.44) PTAFRLMNAMAPTGAAEED
SCHEMBL87099 0.78 PTAFR (0.44) PTAFRLMNAMAPTDNMT1RAD52

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-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 EGFR 352/4885ACKR3 885/4885BRD4 1434/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 EGFR 109/4885ACKR3 366/4885BRD4 1959/4885

“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.