SCHEMBL7474902

SCHEMBL7474902

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.42
ADORA1 P30542 4/20 0.40
MAPT P10636 2/20 0.37
GSK3B P49841 1/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
LCK P06239 1/20 0.36
CTSL P07711 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
CTSS P25774 1/20 0.36
PTPN13 Q12923 1/20 0.36
ABL1 P00519 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7478159 0.84 MAP3K5 (0.45) HSD17B14ADORA1MAPTABL1MEN1
SCHEMBL7473183 0.81 ADORA1 (0.37) ADORA1LCKCTSLPTPRCPTPN2
SCHEMBL7480623 0.81 ADORA1 (0.39) HSD17B14ADORA1MAPTGSK3BABL1
SCHEMBL7485304 0.73 TYK2 (0.37) HSD17B14ADORA1MAPTGSK3BADORA3
SCHEMBL31497604 0.72 KIF11 (0.40)
SCHEMBL5833360 0.72 HPGD (0.50) ADORA1MAPTLCKCTSLPTPRC
SCHEMBL921576 0.72 L3MBTL1 (0.54) ADORA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1857075 0.71 ADORA1 (0.44) ADORA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3883249 0.71 FFAR2 (0.48) ADORA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8357551 0.70 NOS1 (0.41) ADORA1ADORA3ADORA2AMEN1KMT2A

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 HSD17B14 856/4885ADORA1 196/4885MAPT 1075/4885
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS NOS1, NOS3, NOS2 HSD17B14 833/4885ADORA1 857/4885MAPT 97/4885

“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.