SCHEMBL25085543

SCHEMBL25085543

CCc1ccc(N2CCC(CN(C)C)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.39
SUV39H2 Q9H5I1 2/20 0.37
MELK Q14680 7/20 0.36

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
SCHEMBL21267028 0.84 CDK2 (0.41) HRH3
SCHEMBL24681513 0.84 USP1 (0.42) HRH3SUV39H2MELK
SCHEMBL23425939 0.82 HRH3 (0.45) HRH3
SCHEMBL24061621 0.82 MAPT (0.45) HRH3
SCHEMBL21245679 0.81 PIK3CA (0.40) HRH3SUV39H2
SCHEMBL19145422 0.81 MAPT (0.46) HRH3
SCHEMBL19251500 0.79 KDM4E (0.44) HRH3SUV39H2
SCHEMBL21267710 0.79 HRH3 (0.41) HRH3SUV39H2MELK
SCHEMBL23107223 0.78 HRH3 (0.49) HRH3
SCHEMBL23103856 0.78 HRH3 (0.49) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 HRH3 1963/4885SUV39H2 673/4885MELK 183/4885

“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.