SCHEMBL7477975

SCHEMBL7477975

Cc1ccc(-c2cccc(NC(=O)C(C)(C)C)n2)c(OC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 11/20 0.40
ADORA1 P30542 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MCL1 Q07820 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 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
SCHEMBL7479491 0.86 TP53 (0.40) MAP3K5ADORA1MEN1KMT2ANPC1
SCHEMBL7473183 0.86 ADORA1 (0.37) MAP3K5ADORA1MCL1ALDH1A1TSHR
SCHEMBL7479529 0.85 ADORA1 (0.36) MAP3K5ADORA1MCL1KCNK3KCNK9
SCHEMBL7473138 0.83 MAP3K5 (0.36) MAP3K5ADORA1MCL1ALDH1A1
SCHEMBL7473861 0.83 ABL1 (0.35) MAP3K5ADORA1NPC1RAB9AMCL1
SCHEMBL7478159 0.80 MAP3K5 (0.45) MAP3K5ADORA1MEN1KMT2ARAB9A
SCHEMBL7480247 0.73 GRIN2B (0.40) TSHR
SCHEMBL5833360 0.72 HPGD (0.50) ADORA1MEN1KMT2ANPC1TP53
SCHEMBL8882553 0.72 MAPT (0.46) ADORA1MEN1KMT2ATP53RAB9A
SCHEMBL8459589 0.70 NOS1 (0.43) MAP3K5ADORA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007512-B1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PROD INC (US) 2002-04-03 EP disclosed
US-6362195-B1 INHIBITOR OF NITRIC OXIDE SYNTHASE; CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-03-26 US disclosed
US-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines LOWE JOHN ADAMS (US) 2002-02-21 US disclosed
EP-1007512-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
WO-1999011620-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-11 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-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines NOS3, NOS2, PNMT MAP3K5 1197/4885ADORA1 196/4885MEN1 4000/4885

“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.