SCHEMBL3621034

SCHEMBL3621034

N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2Cl)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.46
CNR2 P34972 8/20 0.46
MCL1 Q07820 1/20 0.45
GCGR P47871 2/20 0.43
MAPK14 Q16539 2/20 0.43
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
GALR3 O60755 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
CRHR2 Q13324 1/20 0.40
PDE5A O76074 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 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
SCHEMBL5363935 0.93 CNR1 (0.51) CNR1CNR2MCL1GCGRMAPK14
SCHEMBL1404496 0.90 CNR1 (0.49) CNR1CNR2MCL1KDM4EHPGD
SCHEMBL3401285 0.85 MCL1 (0.45) CNR1CNR2MCL1GCGRMAPK14
SCHEMBL1404528 0.85 KDM4E (0.51) CNR1CNR2MCL1KDM4EHPGD
SCHEMBL5363205 0.83 KDM4E (0.49) CNR1CNR2MCL1KDM4EHPGD
SCHEMBL19835567 0.83 MCL1 (0.55) CNR1MCL1GCGRMAPK14KDM4E
SCHEMBL3100284 0.80 KDM4E (0.50) CNR1CNR2MCL1KDM4EHPGD
SCHEMBL5363847 0.78 KDM4E (0.59) CNR1MCL1GCGRMAPK14KDM4E
SCHEMBL19835568 0.77 KDM4E (0.51) CNR1MCL1GCGRMAPK14KDM4E
SCHEMBL9587750 0.73 KDM4E (0.73) CNR1MCL1KDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728141-B2 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. (US) 2010-06-01 US disclosed
EP-1682550-B1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2009-12-23 EP disclosed
US-20070032517-A1 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. 2007-02-08 US disclosed
EP-1682550-A4 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2007-01-03 EP disclosed
CN-1875021-A Substituted naphthyridinone derivatives MERCK & CO INC (US) 2006-12-06 CN disclosed
EP-1682550-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES Merck & Co., Inc. (US) 2006-07-26 EP disclosed
WO-2005047285-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO., INC. (US) 2005-05-26 WO 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 (1 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-20070032517-A1 Substituted naphthyridinone derivatives CNR1, CNR2, MAG CNR1 1/4885CNR2 2/4885MCL1 622/4885

“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.