SCHEMBL3712845

SCHEMBL3712845

COC(=O)c1cnc(NC(=O)N2Cc3ccccc3C2)s1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.63
TAS1R3 Q7RTX0 6/20 0.49
TAS1R1 Q7RTX1 6/20 0.49
TAS1R2 Q8TE23 6/20 0.49
FFAR2 O15552 1/20 0.48
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL3703000 0.88 NAMPT (0.65) NAMPTTAS1R3TAS1R1TAS1R2FFAR2
SCHEMBL3712841 0.79 FFAR2 (0.49) NAMPTFFAR2
SCHEMBL3701422 0.78 NAMPT (1.00) NAMPT
SCHEMBL15051480 0.76 OGA (0.44) NAMPTFFAR2
SCHEMBL3580537 0.75 KDR (0.61) FFAR2
SCHEMBL3700847 0.74 NAMPT (1.00) NAMPT
SCHEMBL2370331 0.74 DDX3X (0.54) FFAR2
SCHEMBL3705621 0.73 NAMPT (0.66) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL3705114 0.73 NAMPT (0.66) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL2370795 0.73 FFAR2 (0.53) FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US 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 (3 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK NAMPT 1/4885TAS1R3 3988/4885TAS1R1 4181/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885TAS1R3 4597/4885TAS1R1 4638/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885TAS1R3 4597/4885TAS1R1 4638/4885

“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.