SCHEMBL87110

SCHEMBL87110

CC(C)(C)Oc1ccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TRPV1 Q8NER1 2/20 0.35
ABCB1 P08183 2/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 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
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL87108 0.89 GAA (0.47) PTAFRGAAKMT2ANPC1RAB9A
SCHEMBL86725 0.85 MEN1 (0.41) PTAFRGAAKMT2ANPC1RAB9A
SCHEMBL87099 0.85 PTAFR (0.44) PTAFRGAAKMT2ANPC1RAB9A
SCHEMBL86871 0.85 PIK3CB (0.46) PTAFRGAAKMT2ANPC1RAB9A
SCHEMBL86842 0.84 MEN1 (0.39) PTAFRKMT2ANPC1RAB9AABCB1
SCHEMBL87126 0.83 KCNK3 (0.43) GAAKMT2ANPC1RAB9APIK3CB
SCHEMBL12533693 0.83 DNMT1 (0.36) PTAFRKMT2ANPC1RAB9APIK3CB
SCHEMBL86942 0.83 NPC1 (0.44) PTAFRKMT2ANPC1RAB9ACYP1A2
SCHEMBL86684 0.81 PTGS2 (0.41) GAAKMT2ANPC1RAB9APIK3CB
SCHEMBL86877 0.81 CYP2D6 (0.46) GAAKMT2ANPC1RAB9AABCG2

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 PTAFR 119/4885GAA 1455/4885KMT2A 4598/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTAFR 1757/4885GAA 2583/4885KMT2A 1309/4885

“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.