SCHEMBL3704814

SCHEMBL3704814

O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1Cc2ccc(CN3CCCC3)cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 1.00
NAMPT P43490 14/20 1.00
ROCK1 Q13464 2/20 0.67

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
SCHEMBL3706888 0.98 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3698246 0.94 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL6121481 0.94 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3699743 0.88 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3702905 0.88 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL6120156 0.88 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3698165 0.87 NAMPT (1.00) ROCK2NAMPTROCK1
SCHEMBL6122693 0.87 NAMPT (1.00) ROCK2NAMPTROCK1
SCHEMBL3709086 0.85 NAMPT (1.00) ROCK2NAMPTROCK1
SCHEMBL3700221 0.85 ROCK2 (1.00) ROCK2NAMPTROCK1

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-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US 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 ROCK2 11/4885NAMPT 1/4885ROCK1 13/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 ROCK2 7/4885NAMPT 1/4885ROCK1 8/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 ROCK2 7/4885NAMPT 1/4885ROCK1 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.