SCHEMBL3707918

SCHEMBL3707918

Nc1ccc(-c2n[nH]c(=O)c3cccc(C(F)(F)F)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.57
NAMPT P43490 3/20 0.57
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ENPP1 P22413 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AR P10275 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ROCK1 Q13464 5/20 0.40
PARP1 P09874 2/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3707594 0.82 ROCK2 (0.55) ROCK2NAMPTATMNPSR1ENPP1
SCHEMBL8551845 0.78 ROCK2 (0.48) ROCK2NAMPTATMNPSR1ENPP1
SCHEMBL8551517 0.78 NPSR1 (0.57) ROCK2NAMPTATMNPSR1ENPP1
SCHEMBL8548542 0.77 ROCK2 (0.47) ROCK2NAMPTATMNPSR1ENPP1
SCHEMBL3710852 0.77 ATM (0.73) ROCK2ATMNPSR1ENPP1KDM4E
SCHEMBL26614934 0.75 ROCK2 (0.53) ROCK2NAMPTATMNPSR1KDM4E
Trifluoroacetic Acid SCHEMBL21405608 0.75 ATM (0.60) ROCK2ATMNPSR1ENPP1KDM4E
SCHEMBL30662549 0.74 KDR (0.44) ROCK2ATMNPSR1ENPP1KDM4E
SCHEMBL3697567 0.73 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL1790016 0.70 NPSR1 (0.67) ROCK2ATMNPSR1ENPP1KDM4E

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 ROCK2 11/4885NAMPT 1/4885ATM 2502/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 ROCK2 7/4885NAMPT 1/4885ATM 2736/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 ROCK2 7/4885NAMPT 1/4885ATM 2736/4885

“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.