SCHEMBL4199033

SCHEMBL4199033

CN(C(=O)c1cc(-c2cccc(Cl)c2)on1)c1nnc(-c2ccncc2)n1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.51
MAPK1 P28482 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
THRB P10828 2/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4193512 0.84 GRM5 (0.60) TP53MAPK1NPC1RAB9AALDH1A1
SCHEMBL1544945 0.80 KCNH2 (0.45) TP53MAPK1NPC1RAB9AALDH1A1
SCHEMBL14281975 0.79 KCNH2 (0.44) TP53MAPK1NPC1RAB9AALDH1A1
SCHEMBL4105476 0.72 GRM5 (0.40) TP53MAPK1NPC1RAB9AALDH1A1
SCHEMBL8242758 0.71 KCNH2 (0.55) TP53MAPK1NPC1RAB9AALDH1A1
SCHEMBL1543775 0.71 KCNH2 (0.51) TP53NPC1RAB9AALDH1A1MAPT
SCHEMBL1544969 0.71 KCNH2 (0.55) TP53MAPK1NPC1RAB9AALDH1A1
SCHEMBL1544314 0.71 RAB9A (0.55) TP53MAPK1NPC1RAB9AALDH1A1
Azd2066 SCHEMBL4337705 0.71 GRM5 (0.69) TP53MAPK1NPC1RAB9AALDH1A1
Azd2066 SCHEMBL29175535 0.71 GRM5 (0.69) TP53MAPK1NPC1RAB9AALDH1A1

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
WO-2009054790-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111824-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054790-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
WO-2009054790-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
US-20090111824-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111824-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111824-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111824-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 TP53 4876/4885MAPK1 2794/4885NPC1 1929/4885

“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.