SCHEMBL4386791

SCHEMBL4386791

[CH2]c1nc2c(C)c(C)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RPS6KA3 P51812 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.34
PDE2A O00408 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
CHEK1 O14757 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
HCRTR1 O43613 6/20 0.31

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
SCHEMBL353026 0.79 CBFB (0.51) CBFBADAMTS5EGLN1NPC1RAB9A
SCHEMBL2541920 0.76 CBFB (0.49) CBFBADAMTS5EGLN1RPS6KA3KDM4E
SCHEMBL9144161 0.76 CBFB (0.49) CBFBADAMTS5EGLN1NPC1RAB9A
SCHEMBL1192237 0.76 NPC1 (0.50) CBFBADAMTS5EGLN1NPC1RAB9A
SCHEMBL4386408 0.76 MGAM (0.53) CBFBADORA3ADORA2AMGAMGAA
SCHEMBL8013154 0.74 CBFB (0.47) CBFBADAMTS5EGLN1NPC1RAB9A
SCHEMBL9847093 0.73 CBFB (0.46) CBFBADAMTS5EGLN1NPC1RAB9A
SCHEMBL6757190 0.73 CBFB (0.46) CBFBADAMTS5EGLN1NPC1RAB9A
SCHEMBL23227712 0.72 CBFB (0.45) CBFBADAMTS5EGLN1NPC1RAB9A
SCHEMBL4069917 0.72 CBFB (0.45) CBFBADAMTS5EGLN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101331116-A N-(6-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 CN claimed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP claimed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US claimed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO claimed
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 EP disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
CN-101331116-A N-(6-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 CN disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 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-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L CBFB 1006/4885ADAMTS5 3234/4885EGLN1 2111/4885

“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.