SCHEMBL3480971

SCHEMBL3480971

CCN(CC)c1ccc(Nc2ccnc(N3CCC(N4CCc5cc(OC)c(OC)cc5C4)CC3)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.40
CCNE1 P24864 5/20 0.39
CDK2 P24941 5/20 0.39
EGFR P00533 8/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 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
SCHEMBL3017764 0.80 ALK (0.46) CCNE1CDK2EGFRHSP90AA1HSP90AB1
SCHEMBL3480701 0.78 CDK2 (0.43) CCNE1CDK2EGFRHSP90AA1HSP90AB1
SCHEMBL3480694 0.78 PSEN1 (0.42) CCNE1CDK2EGFRHSP90AA1HSP90AB1
SCHEMBL3480972 0.77 CDK2 (0.41) CCNE1CDK2EGFRHSP90AA1HSP90AB1
SCHEMBL3480665 0.77 CDK2 (0.41) CCNE1CDK2EGFR
SCHEMBL8141252 0.76 CCNE1 (0.47) CCNE1CDK2
SCHEMBL8144017 0.75 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL8141245 0.74 CCNE1 (0.38) CCNE1CDK2EGFRHSP90AA1HSP90AB1
SCHEMBL8141002 0.74 PSEN1 (0.41) CCNE1CDK2HSP90AA1HSP90AB1
SCHEMBL3480967 0.71 CCR4 (0.43) CCNE1CDK2EGFRHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252803-B2 Piperidine derivatives MERCK SHARP & DOHME CORP. (US) 2012-08-28 US disclosed
US-8252803-B2 Piperidine derivatives MERCK SHARP & DOHME CORP. (US) 2012-08-28 US disclosed
US-8252803-B2 Piperidine derivatives MERCK SHARP & DOHME CORP. (US) 2012-08-28 US disclosed
US-20100041680-A1 PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20100041680-A1 PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20100041680-A1 PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-02-18 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 (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-20100041680-A1 PIPERIDINE DERIVATIVES PSEN1, PSEN2, APBA1 MAP4K1 2928/4885CCNE1 3134/4885CDK2 1996/4885

“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.