SCHEMBL3480665

SCHEMBL3480665

CCN(CC)c1ccc(Nc2ccnc(N3CCC(n4cnnn4)CC3)n2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.41
CCNE1 P24864 6/20 0.41
EGFR P00533 13/20 0.39
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
JAK2 O60674 1/20 0.36
KDR P35968 1/20 0.36
AURKB Q96GD4 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
SCHEMBL3480972 0.90 CDK2 (0.41) CDK2CCNE1EGFRPOLBMAPT
SCHEMBL3480694 0.83 PSEN1 (0.42) CDK2CCNE1EGFRPOLBMAPT
SCHEMBL8144017 0.80 HSP90AA1 (0.49)
SCHEMBL8141002 0.79 PSEN1 (0.41) CDK2CCNE1POLBMAPT
SCHEMBL3480701 0.78 CDK2 (0.43) CDK2CCNE1EGFRPOLBMAPT
SCHEMBL3480971 0.77 MAP4K1 (0.40) CDK2CCNE1EGFR
SCHEMBL3480967 0.76 CCR4 (0.43) CDK2CCNE1EGFR
SCHEMBL8141252 0.76 CCNE1 (0.47) CDK2CCNE1MAPT
SCHEMBL3480697 0.74 CCNE1 (0.41) CDK2CCNE1EGFRPOLBMAPT
SCHEMBL3480857 0.74 IGLV6-57 (0.38) CDK2CCNE1EGFRPOLB

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 7 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
WO-2008100412-A1 PIPERIDINE DERIVATIVES MERCK & CO., INC. (US) 2008-08-21 WO 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 CDK2 1996/4885CCNE1 3134/4885EGFR 4050/4885

“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.