SCHEMBL2896497

SCHEMBL2896497

CNC(C)c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
TP53 P04637 4/20 0.46
SOS1 Q07889 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 2/20 0.44
GRM5 P41594 2/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13871020 1.00 MAPK1 (0.48) MAPK1TP53SOS1NPC1RAB9A
SCHEMBL17788470 0.84 CSF1R (0.51) MAPK1TP53NPC1RAB9AALDH1A1
SCHEMBL2903787 0.84 GRM5 (0.42) MAPK1TP53NPC1RAB9AALDH1A1
SCHEMBL4100053 0.82 NPC1 (0.51) MAPK1TP53NPC1RAB9AALDH1A1
SCHEMBL1844413 0.82 MAPK1 (0.50) MAPK1TP53NPC1RAB9AALDH1A1
SCHEMBL1544213 0.82 MAPK1 (0.50) MAPK1TP53NPC1RAB9AALDH1A1
SCHEMBL5483690 0.82 NPC1 (0.48) MAPK1TP53NPC1RAB9AALDH1A1
SCHEMBL16504181 0.82 MAPK1 (0.50) MAPK1TP53NPC1RAB9AALDH1A1
SCHEMBL14389104 0.79 GRM5 (0.51) MAPK1TP53NPC1RAB9AALDH1A1
SCHEMBL8232338 0.79 TP53 (0.45) MAPK1TP53NPC1RAB9AALDH1A1

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
EP-2212316-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 AstraZeneca AB (SE) 2010-08-04 EP claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 MAPK1 1575/4885TP53 4884/4885SOS1 4023/4885

“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.