SCHEMBL3707306

SCHEMBL3707306

COc1ccc2c(c1)CN(C(=O)Nc1ccc(-c3c[nH]c(=O)c4ccccc34)cc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 1.00
ROCK2 O75116 11/20 1.00
ROCK1 Q13464 5/20 0.66
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
TAS1R2 Q8TE23 1/20 0.57

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
SCHEMBL6121478 1.00 NAMPT (1.00) NAMPTROCK2ROCK1TAS1R3TAS1R1
SCHEMBL19997298 0.92 ROCK2 (0.86) NAMPTROCK2ROCK1TAS1R3TAS1R1
SCHEMBL3704699 0.87 ROCK2 (1.00) NAMPTROCK2ROCK1TAS1R3TAS1R1
SCHEMBL3709151 0.85 ROCK2 (1.00) NAMPTROCK2ROCK1TAS1R3TAS1R1
SCHEMBL15880923 0.83 ROCK1 (0.83) NAMPTROCK2ROCK1
SCHEMBL3712421 0.83 NAMPT (1.00) NAMPTROCK2ROCK1
SCHEMBL6120719 0.83 NAMPT (1.00) NAMPTROCK2ROCK1
SCHEMBL3708398 0.82 NAMPT (1.00) NAMPTROCK2ROCK1
SCHEMBL19996458 0.81 ROCK2 (0.80) NAMPTROCK2ROCK1TAS1R3TAS1R1
SCHEMBL3712002 0.81 NAMPT (1.00) NAMPTROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US claimed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP claimed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
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 1/4885ROCK2 11/4885ROCK1 13/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885ROCK2 7/4885ROCK1 8/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885ROCK2 7/4885ROCK1 8/4885

“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.