SCHEMBL6037500

SCHEMBL6037500

Cc1ccc(N(C(N)=O)c2ccccc2)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
KDR P35968 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 6/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 3/20 0.36
APAF1 O14727 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
SCHEMBL6037588 0.81 TRPM8 (0.40) TRPM8NPSR1KDRMAPTMAPK1
SCHEMBL7244019 0.81 TSHR (0.44) TRPM8NPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL17103009 0.80 NPSR1 (0.48) TRPM8NPSR1MAPTMAPK1GAA
SCHEMBL6037509 0.79 TSHR (0.45) MAPTMAPK1GAAALDH1A1CYP3A4
SCHEMBL77003 0.78 TRPM8 (0.53) TRPM8NPSR1GAAALDH1A1TDP1
SCHEMBL77001 0.78 TRPM8 (0.53) TRPM8NPSR1GAAALDH1A1TDP1
SCHEMBL366746 0.77 PARP1 (0.47) TRPM8NPSR1ALDH1A1ALOX15CYP3A4
SCHEMBL19848535 0.75 TDP1 (0.43) ALDH1A1ALOX15HSD17B10TDP1TP53
SCHEMBL6037496 0.74 TSHR (0.43) NPSR1MAPTMAPK1GAAALDH1A1
SCHEMBL10581708 0.74 NPSR1 (0.54) TRPM8NPSR1MAPTMAPK1GAA

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 1877/4885NPSR1 1439/4885KDR 2349/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM TRPM8 1877/4885NPSR1 1439/4885KDR 2349/4885

“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.