SCHEMBL17670425

SCHEMBL17670425

Cc1c(C(=O)O)cc(CN(Cc2nccn2Cc2ccc(F)cc2)C(=O)OC(C)(C)C)nc1Br

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.38
▸ HSP90B1 P14625 2/20 0.38
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ GRM2 Q14416 3/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ TP53 P04637 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
SCHEMBL17544610 0.81 HSP90B1 (0.47) HSP90AA1HSP90B1
SCHEMBL17670437 0.80 HSP90AA1 (0.42) HSP90AA1HSP90B1AGTR1AGTR2RAB9A
SCHEMBL17544839 0.75 HSP90B1 (0.43) HSP90AA1HSP90B1GRM2TP53
SCHEMBL17544781 0.67 GRM2 (0.36) AGTR1AGTR2SSTR4GRM2TP53
SCHEMBL3977347 0.65 HSP90AA1 (0.40) HSP90AA1HSP90B1RAB9AGRM2OPRD1
SCHEMBL17545037 0.65 GRM2 (0.35) AGTR1AGTR2GRM2
SCHEMBL17549883 0.62 HSP90AA1 (0.44) HSP90AA1HSP90B1RAB9AGRM2TP53
SCHEMBL1636495 0.62 HDAC3 (0.40) AGTR1AGTR2SSTR4
SCHEMBL7186268 0.61 RAB9A (0.67) HSP90AA1HSP90B1RAB9AOPRD1TP53
SCHEMBL30964961 0.60 HDAC3 (0.39) SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 HSP90AA1 820/4885HSP90B1 2301/4885AGTR1 2794/4885

“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.

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