SCHEMBL3377500

SCHEMBL3377500

Cc1ccc2c(-c3cccnc3)cnc(Nc3csc(C)n3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.41
CYP2A6 P11509 3/20 0.39
CYP2E1 P05181 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GPR35 Q9HC97 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTK2 Q05397 1/20 0.35
CYP19A1 P11511 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
CKS1B P61024 1/20 0.34
SKP2 Q13309 1/20 0.34

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
SCHEMBL3380124 0.89 CKS1B (0.42) GRM5CYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL3379007 0.88 GRM5 (0.38) GRM5
SCHEMBL3380853 0.84 GRM5 (0.32) GRM5NPC1RAB9ATDP1TP53
SCHEMBL3380960 0.84 GRM5 (0.31) GRM5
SCHEMBL3378923 0.84 GCK (0.47) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL3379895 0.84 GRM5 (0.33) GRM5NPC1RAB9APOLB
SCHEMBL3379238 0.84 NPC1 (0.34) GRM5NPC1RAB9A
SCHEMBL3378359 0.84 GRM5 (0.34) GRM5
SCHEMBL3380763 0.83 GRM5 (0.35) GRM5CYP3A4
SCHEMBL3181981 0.82 GPR35 (0.41) GRM5CYP2A6CYP2E1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101277958-B Naphthyridin derivatives HOFFMANN LA ROCHE 2011-09-07 CN claimed
EP-1934216-B1 NAPHTHYRIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP claimed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US claimed
CN-101277958-A Naphthyridin derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN claimed
EP-1934216-A1 NAPHTHYRIDIN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP claimed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO claimed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 US claimed
CN-101277958-B Naphthyridin derivatives HOFFMANN LA ROCHE 2011-09-07 CN disclosed
EP-1934216-B1 NAPHTHYRIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP disclosed
EP-1934216-B1 NAPHTHYRIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
CN-101277958-A Naphthyridin derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
EP-1934216-A1 NAPHTHYRIDIN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 US disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 US disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 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 (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-20070078155-A1 Naphthyridin derivatives GRM5, GRM3, GRM1 GRM5 1/4885CYP2A6 1896/4885CYP2E1 1895/4885

“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.