SCHEMBL17518296

SCHEMBL17518296

Cc1n[nH]c2c1CN(C(=O)N(C)C)C2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 11/20 0.39
CDK2 P24941 11/20 0.39
CCNA1 P78396 11/20 0.39
AURKA O14965 8/20 0.39
KIF11 P52732 2/20 0.33
EP300 Q09472 2/20 0.33
CREBBP Q92793 2/20 0.33
MAPK1 P28482 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
SCHEMBL26372096 0.86 CREBBP (0.36) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL17518297 0.86 CREBBP (0.43) EP300CREBBPMAPK1
SCHEMBL26372099 0.84 CREBBP (0.37) KIF11EP300CREBBPMAPK1
SCHEMBL16123821 0.81 CCNA2 (0.53) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL1704668 0.81 CCNA2 (0.42) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL17234814 0.80 CCNA2 (0.47) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL17232775 0.77 CCNA2 (0.41) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL17232797 0.77 AURKA (0.39) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL17232799 0.77 CREBBP (0.47) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL17232800 0.77 RBP4 (0.44) CCNA2CDK2CCNA1AURKACREBBP

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-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 US disclosed
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 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-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS CCNA2 2723/4885CDK2 1427/4885CCNA1 3516/4885
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CCNA2 1032/4885CDK2 753/4885CCNA1 1085/4885

“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.