SCHEMBL3559145

SCHEMBL3559145

CC1(C(=O)Nc2cc([C@H]3C[C@@H](OC(=O)NCc4c(F)cccc4F)C3)n[nH]2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 8/20 0.36
CDK2 P24941 8/20 0.36
MAPK1 P28482 9/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
GSK3B P49841 3/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL3559144 1.00 CCNE1 (0.36) CCNE1CDK2MAPK1ROCK2ROCK1
SCHEMBL3136001 0.89 MAPK1 (0.40) CCNE1CDK2MAPK1ROCK2GSK3B
SCHEMBL3136006 0.89 MAPK1 (0.40) CCNE1CDK2MAPK1ROCK2GSK3B
SCHEMBL3565829 0.79 CCR2 (0.34) CCNE1CDK2ROCK1GSK3B
SCHEMBL3130755 0.74 HTR1A (0.36) CCNE1CDK2GSK3B
SCHEMBL3130764 0.74 HTR1A (0.36) CCNE1CDK2GSK3B
SCHEMBL3130751 0.74 HTR1A (0.36) CCNE1CDK2GSK3B
SCHEMBL3561897 0.72 CCR2 (0.40) CDK2P2RX7
SCHEMBL3260122 0.71 CETP (0.39) ROCK1P2RX7
SCHEMBL3121250 0.70 PKM (0.43) CCNE1CDK2MAPK1

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-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US claimed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US claimed

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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP CCNE1 420/4885CDK2 58/4885MAPK1 1138/4885

“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.