SCHEMBL6037588

SCHEMBL6037588

Cc1ccc(N(C(N)=O)c2ccccc2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDR P35968 1/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX5 P09917 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL17103009 0.86 NPSR1 (0.48) TRPM8MAPK13MAPK12MAPK11MAPK14
SCHEMBL6037502 0.83 ALDH1A1 (0.42) TRPM8KDRHPGDALDH1A1KDM4E
SCHEMBL6037482 0.83 TRPM8 (0.40) TRPM8KDRHPGDALDH1A1KDM4E
SCHEMBL6037488 0.82 KDR (0.46) TRPM8MAPK14KDRKDM4EALOX5
SCHEMBL6037500 0.81 TRPM8 (0.41) TRPM8KDRALDH1A1NPSR1NPC1
SCHEMBL77001 0.80 TRPM8 (0.53) TRPM8ALDH1A1ALOX5NPSR1NPC1
SCHEMBL77003 0.80 TRPM8 (0.53) TRPM8ALDH1A1ALOX5NPSR1NPC1
SCHEMBL2122406 0.80 HDAC1 (0.42) TRPM8MAPK13MAPK12MAPK11MAPK14
SCHEMBL29006866 0.80 CYP3A4 (0.38) MAPK13MAPK12MAPK11MAPK14HPGD
SCHEMBL1954828 0.80 ALOX5 (0.47) TRPM8HPGDALDH1A1ALOX5NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM TRPM8 1877/4885MAPK13 2580/4885MAPK12 2486/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM TRPM8 1877/4885MAPK13 2580/4885MAPK12 2486/4885

“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.