SCHEMBL3704050

SCHEMBL3704050

N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 1.00
ALDH1A1 P00352 2/20 0.57
CYP2C19 P33261 2/20 0.57
USP2 O75604 1/20 0.57
CYP3A4 P08684 1/20 0.57
HTT P42858 1/20 0.57
CYP1A2 P05177 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 1/20 0.54

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
SCHEMBL3707121 0.86 NAMPT (1.00) NAMPTHTT
SCHEMBL3705151 0.80 NAMPT (1.00) NAMPT
SCHEMBL3711616 0.79 NAMPT (1.00) NAMPT
SCHEMBL3704947 0.79 NAMPT (0.71) NAMPT
SCHEMBL3705940 0.78 NAMPT (1.00) NAMPT
SCHEMBL3703639 0.76 NAMPT (1.00) NAMPT
SCHEMBL3706330 0.76 NAMPT (1.00) NAMPT
SCHEMBL3705158 0.76 NAMPT (1.00) NAMPTALDH1A1MAPT
SCHEMBL3701425 0.75 NAMPT (1.00) NAMPT
SCHEMBL3703132 0.73 NAMPT (1.00) NAMPT

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-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
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 1/4885ALDH1A1 2558/4885CYP2C19 4209/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885ALDH1A1 2689/4885CYP2C19 4667/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885ALDH1A1 2689/4885CYP2C19 4667/4885

“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.