SCHEMBL904223

SCHEMBL904223

CC1CCCN1Cc1ccccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.69
HSP90AB1 P08238 3/20 0.53
TRPV1 Q8NER1 3/20 0.38
BMPR1A P36894 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CD274 Q9NZQ7 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
SCHEMBL904034 1.00 HSP90AA1 (0.69) HSP90AA1HSP90AB1TRPV1BMPR1AACVRL1
SCHEMBL904226 1.00 HSP90AA1 (0.69) HSP90AA1HSP90AB1TRPV1BMPR1AACVRL1
SCHEMBL904042 0.91 HSP90AA1 (0.60) HSP90AA1HSP90AB1TRPV1BMPR1AACVRL1
SCHEMBL904043 0.91 HSP90AA1 (0.57) HSP90AA1HSP90AB1TRPV1BMPR1AACVRL1
SCHEMBL10254021 0.91 HSP90AA1 (0.63) HSP90AA1HSP90AB1TRPV1BMPR1AACVRL1
SCHEMBL904181 0.90 HSP90AA1 (0.69) HSP90AA1HSP90AB1CD274
SCHEMBL904169 0.89 HSP90AA1 (0.71) HSP90AA1HSP90AB1KDM4ECD274
SCHEMBL10256124 0.88 HSP90AA1 (0.64) HSP90AA1HSP90AB1POLBCD274
SCHEMBL903946 0.88 HSP90AA1 (0.64) HSP90AA1HSP90AB1CD274
SCHEMBL904020 0.88 HSP90AA1 (0.74) HSP90AA1HSP90AB1MEN1KMT2AADORA2A

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 2/4885TRPV1 2482/4885

“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.