SCHEMBL904043

SCHEMBL904043

CC1CCCN1Cc1ccc(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.57
HSP90AB1 P08238 3/20 0.49
ACVRL1 P37023 7/20 0.39
ACVR1 Q04771 7/20 0.39
BMPR1A P36894 6/20 0.39
BMPR1B O00238 2/20 0.38
TGFBR1 P36897 2/20 0.38
MAP4K4 O95819 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL904042 0.94 HSP90AA1 (0.60) HSP90AA1HSP90AB1ACVRL1ACVR1BMPR1A
SCHEMBL10254021 0.92 HSP90AA1 (0.63) HSP90AA1HSP90AB1ACVRL1ACVR1BMPR1A
SCHEMBL904034 0.91 HSP90AA1 (0.69) HSP90AA1HSP90AB1ACVRL1ACVR1BMPR1A
SCHEMBL904226 0.91 HSP90AA1 (0.69) HSP90AA1HSP90AB1ACVRL1ACVR1BMPR1A
SCHEMBL904223 0.91 HSP90AA1 (0.69) HSP90AA1HSP90AB1ACVRL1ACVR1BMPR1A
SCHEMBL904121 0.85 HSP90AA1 (0.60) HSP90AA1HSP90AB1MAP4K4
SCHEMBL903945 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1
SCHEMBL904045 0.84 HSP90AA1 (0.81) HSP90AA1HSP90AB1
SCHEMBL904212 0.83 HSP90AA1 (0.68) HSP90AA1HSP90AB1
SCHEMBL15091398 0.82 HSP90AA1 (0.63) HSP90AA1HSP90AB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
WO-2012041435-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-04-05 WO 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 (1 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-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES HSP90B1, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885ACVRL1 4866/4885

“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.