SCHEMBL480230

SCHEMBL480230

CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1ccc(C#N)cn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 11/20 0.60
KIF11 P52732 2/20 0.40
CCR6 P51684 1/20 0.38
MAP4K4 O95819 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
EGFR P00533 2/20 0.35
PRKDC P78527 2/20 0.35
FEN1 P39748 1/20 0.35
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ATR Q13535 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
SCHEMBL2989779 0.89 ALOX5AP (0.51) ALOX5APKIF11MAP4K4MINK1TNIK
SCHEMBL10199337 0.83 KDM4E (0.43) ALOX5APKIF11CCR6
SCHEMBL480242 0.81 ALOX5AP (0.74) ALOX5APLMNAMAPT
SCHEMBL480253 0.81 ALOX5AP (0.74) ALOX5APLMNAMAPT
SCHEMBL480227 0.78 ALOX5AP (0.63) ALOX5APKIF11AKT1MAPT
SCHEMBL12019803 0.76 ALOX5AP (0.48) ALOX5APKIF11MAP4K4EGFRPRKDC
SCHEMBL480259 0.75 ALOX5AP (1.00) ALOX5APFEN1LMNAMAPT
SCHEMBL707655 0.75 ALOX5AP (0.80) ALOX5APMAP4K4MINK1FEN1PIK3CA
SCHEMBL480221 0.75 ALOX5AP (1.00) ALOX5APFEN1LMNAMAPT
SCHEMBL13262237 0.75 ALOX5AP (0.76) ALOX5APFEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US claimed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP claimed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US claimed
EP-2064204-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) Merck & Co., Inc. (US) 2009-06-03 EP claimed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 WO claimed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
EP-2064204-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) Merck & Co., Inc. (US) 2009-06-03 EP disclosed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 14/4885KIF11 4844/4885CCR6 1205/4885

“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.