SCHEMBL3480705

SCHEMBL3480705

CCOc1cc(C)c(Nc2nc(N3CCC(n4ccnc4)CC3)ncc2F)cc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 4/20 0.35
ALK Q9UM73 2/20 0.34
ATR Q13535 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
P2RX7 Q99572 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
ROCK2 O75116 3/20 0.31
ROCK1 Q13464 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL3480691 0.91 ALK (0.37) BCL6ALKROCK2
SCHEMBL3480953 0.86 ALK (0.36) BCL6ALKNCOR2P2RX7ROCK2
SCHEMBL3480880 0.85 EGFR (0.39) ROCK2ROCK1EGFR
SCHEMBL3480711 0.80 PSEN1 (0.34) IRAK4
SCHEMBL3480710 0.80 LMNA (0.32)
SCHEMBL3480980 0.80 LMNA (0.32)
SCHEMBL3480722 0.79 LMNA (0.34) IRAK4
SCHEMBL8167298 0.79 LMNA (0.34) ATRIRAK4
SCHEMBL3480679 0.78 PSEN1 (0.44) BCL6
SCHEMBL3480686 0.75 EGFR (0.41) EGFR

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 BCL6 2273/4885ALK 4781/4885ATR 3543/4885

“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.