SCHEMBL3480845

SCHEMBL3480845

CCOc1cc(C)c(Nc2ccnc(N3CC[C@H](n4ccnc4)[C@H](F)C3)n2)cc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.42
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL3480728 1.00 EGFR (0.42) EGFRROCK2ROCK1IRAK4
SCHEMBL3480880 0.87 EGFR (0.39) EGFRROCK2ROCK1
SCHEMBL3480686 0.80 EGFR (0.41) EGFR
SCHEMBL3480868 0.80 EGFR (0.39) EGFR
SCHEMBL3480644 0.78 EGFR (0.38) EGFR
SCHEMBL3480960 0.77 EGFR (0.40) EGFR
SCHEMBL3480838 0.77 EGFR (0.38) EGFR
SCHEMBL3480711 0.75 PSEN1 (0.34) IRAK4
SCHEMBL3480710 0.75 LMNA (0.32)
SCHEMBL3480980 0.75 LMNA (0.32)

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 EGFR 4050/4885ROCK2 3163/4885ROCK1 2580/4885

“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.