SCHEMBL3702999

SCHEMBL3702999

O=C(O)c1cnc(NC(=O)n2cc3ccccc3c2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.47
CDK2 P24941 4/20 0.47
CDK5 Q00535 4/20 0.47
FFAR2 O15552 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NAMPT P43490 2/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
SCD O00767 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3712841 0.88 FFAR2 (0.49) CCNE1CDK2CDK5FFAR2NPC1
SCHEMBL3703000 0.77 NAMPT (0.65) CCNE1CDK2CDK5FFAR2NPC1
SCHEMBL2664534 0.75 KDR (0.68) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL2370632 0.72 CYP1A2 (0.58) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL3045677 0.71 CCNE1 (0.51) CCNE1CDK2CDK5FFAR2NPC1
SCHEMBL4252563 0.71 MAPK14 (0.74) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL186141 0.71 HCAR2 (0.53) CCNE1CDK2CDK5FFAR2NPC1
SCHEMBL3706730 0.70 P4HTM (0.58)
SCHEMBL3696994 0.70 PTGFR (0.42) NAMPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL20819347 0.70 CCNE1 (0.64) CCNE1CDK2CDK5FFAR2NPC1

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 CCNE1 4786/4885CDK2 1191/4885CDK5 407/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 CCNE1 4642/4885CDK2 1516/4885CDK5 404/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 CCNE1 4642/4885CDK2 1516/4885CDK5 404/4885

“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.