SCHEMBL23607244

SCHEMBL23607244

N#Cc1cnc(Nc2cc(-c3ccccc3)c3ncn(CC(F)(F)F)c3c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CHEK1 O14757 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ KDR P35968 4/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ SYK P43405 3/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ AR P10275 1/20 0.33
▸ CDK1 P06493 3/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PRKCA P17252 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
SCHEMBL23579969 0.86 CYP11B1 (0.42) CHEK1KDRCDK1CYP11B1CYP11B2
SCHEMBL23579966 0.84 CHEK1 (0.38) CYP1A2CHEK1SCN9AKDRCDK1
SCHEMBL23607245 0.81 CYP17A1 (0.37) CYP17A1CYP1A2
SCHEMBL29384197 0.80 HDAC6 (0.47) —
SCHEMBL23580475 0.80 HDAC6 (0.47) —
SCHEMBL23607242 0.76 CNR2 (0.36) CYP1A2CHEK1SCN9AKDRSYK
SCHEMBL23579776 0.75 CYP17A1 (0.42) CYP17A1CYP1A2CHEK1SCN9AKDR
SCHEMBL23579642 0.75 CYP17A1 (0.49) CYP17A1CYP1A2
SCHEMBL23579745 0.73 CHEK1 (0.41) CYP1A2CHEK1SCN9AKDRADORA2B
SCHEMBL23580546 0.72 KDR (0.39) CYP1A2CHEK1SCN9AKDRADORA2B

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-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors ONKURE, INC. (US) 2022-05-24 — — US disclosed
WO-2021133957-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS ONKURE, INC. (US) 2021-07-01 — — 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-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 CYP17A1 2453/4885CYP1A2 1128/4885CHEK1 2145/4885

“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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