SCHEMBL20910756

SCHEMBL20910756

BC(B)(B)N1CC(C(C)C)N(c2ccnc(Cl)n2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.40

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
SCHEMBL19402113 0.83 MTOR (0.44) IDH1
SCHEMBL20677059 0.83 MTOR (0.44) IDH1
SCHEMBL20676916 0.80 MTOR (0.39) IDH1
SCHEMBL19402227 0.80 MTOR (0.42) IDH1
SCHEMBL19402184 0.80 MTOR (0.39) IDH1
SCHEMBL20676930 0.80 MTOR (0.42) IDH1
SCHEMBL20677048 0.76 IDH1 (0.39) IDH1
SCHEMBL20677050 0.76 IDH1 (0.39) IDH1
SCHEMBL19402112 0.75 CDK4 (0.50) IDH1
SCHEMBL20677090 0.75 CDK4 (0.50) IDH1

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-10682352-B2 Compound having mutant IDH inhibitory activity, preparation method and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2020-06-16 — — US disclosed
US-20190111056-A1 COMPOUND HAVING MUTANT IDH INHIBITORY ACTIVITY, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-04-18 — — 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 (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-20190111056-A1 COMPOUND HAVING MUTANT IDH INHIBITORY ACTIVITY, PREPARATION METHOD AND USE THEREOF IDH1, IDH3A, IDH2 IDH1 1/4885
US-10682352-B2 Compound having mutant IDH inhibitory activity, preparation method and use thereof IDH1, IDH3A, IDH2 IDH1 1/4885

“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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