SCHEMBL29545448

SCHEMBL29545448

CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cncc(Cl)n2)c2ccc(-c3cnc(C)nc3)cc12

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFD P00746 20/20 0.62

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
SCHEMBL18610987 1.00 CFD (0.62) CFD
SCHEMBL18578029 1.00 CFD (0.62) CFD
SCHEMBL29545057 0.92 CFD (0.75) CFD
SCHEMBL18578585 0.92 CFD (0.75) CFD
SCHEMBL26271107 0.92 CFD (0.75) CFD
SCHEMBL29544911 0.87 CFD (0.60) CFD
SCHEMBL18578283 0.87 CFD (0.60) CFD
SCHEMBL26273895 0.86 CFD (0.73) CFD
SCHEMBL18578357 0.86 CFD (0.73) CFD
SCHEMBL29546116 0.86 CFD (0.73) CFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-11-12 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
CN-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 CN 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-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 CFD 1/4885
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CFD 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.