Sugi Predict

Sugi Predict / Compounds / SCHEMBL7485304

SCHEMBL7485304

SCHEMBL7485304

CC(C)(C)C(=O)Nc1cccc(-c2ccc(C3CCNC3=O)cc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 3/20 0.37
▸ NTRK1 P04629 2/20 0.35
▸ FAAH O00519 1/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ HSD17B14 Q9BPX1 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ IRAK1 P51617 1/20 0.33

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
SCHEMBL7474315 0.78 TYK2 (0.40) TYK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7478159 0.76 MAP3K5 (0.45) ADORA1HSD17B14MAPTMAP3K5
SCHEMBL7480623 0.74 ADORA1 (0.39) FAAHADORA1HSD17B14MAPTGSK3B
SCHEMBL7474902 0.73 HSD17B14 (0.42) FAAHADORA1HSD17B14MAPTGSK3B
SCHEMBL28103963 0.67 PDE4A (0.49) TYK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7473138 0.65 MAP3K5 (0.36) ADORA1BRAFIRAK4MAP3K5
SCHEMBL5833360 0.65 HPGD (0.50) ADORA1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6027438 0.65 ADORA1 (0.54) ADORA1BRAFHTR1FCYP1A2CYP3A4
SCHEMBL921576 0.65 L3MBTL1 (0.54) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3883249 0.64 FFAR2 (0.48) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS LOWE JOHN A (US) 2002-10-17 — — US disclosed
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-1109556-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS Pfizer Products Inc. (US) 2001-06-27 — — EP disclosed
EP-1007512-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 — — EP disclosed
WO-2000009130-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 — — WO 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 (2 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 TYK2 1801/4885NTRK1 759/4885FAAH 637/4885
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS NOS1, NOS3, NOS2 TYK2 3872/4885NTRK1 2906/4885FAAH 588/4885

“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.