SCHEMBL2989779

SCHEMBL2989779

CC(C)C(C)(c1ccc(C#N)cc1)c1ccc(-c2cnc(N)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.51
KIF11 P52732 2/20 0.49
MAP4K4 O95819 4/20 0.42
MINK1 Q8N4C8 2/20 0.42
TNIK Q9UKE5 2/20 0.42
EGFR P00533 2/20 0.38
PRKDC P78527 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.36
RIPK1 Q13546 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
SCHEMBL480230 0.89 ALOX5AP (0.60) ALOX5APKIF11MAP4K4MINK1TNIK
SCHEMBL2998157 0.81 ALOX5AP (0.64) ALOX5AP
SCHEMBL12019803 0.81 ALOX5AP (0.48) ALOX5APKIF11MAP4K4EGFRPRKDC
SCHEMBL30468703 0.80 KIF11 (0.55) KIF11
SCHEMBL12019808 0.74 MTOR (0.45) ALOX5APKIF11MAP4K4
SCHEMBL10160571 0.74 ALOX5AP (0.49) ALOX5APMAP4K4
SCHEMBL13268073 0.74 CYP17A1 (0.45) ALOX5APKIF11
SCHEMBL10162066 0.74 ALOX5AP (0.66) ALOX5AP
SCHEMBL18471437 0.74 CYP11B2 (0.44) KIF11MAP4K4MINK1TNIKSCN10A
SCHEMBL480253 0.73 ALOX5AP (0.74) ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 15/4885KIF11 4842/4885MAP4K4 3049/4885

“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.