SCHEMBL2898686

SCHEMBL2898686

CCNCc1cc(-c2cccc(C)c2)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
RAB9A P51151 7/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
EPHX2 P34913 1/20 0.39
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
CHEK2 O96017 1/20 0.38
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
LIMK1 P53667 1/20 0.38

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
SCHEMBL4104166 0.85 RAB9A (0.46) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL2904235 0.84 TP53 (0.47) RAB9AALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL17922502 0.83 NOTUM (0.47) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL2900829 0.79 NOTUM (0.68) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL3723768 0.78 NOTUM (0.43) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL3955619 0.77 NOTUM (0.51) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL4090803 0.74 MAPT (0.39) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL8270999 0.73 THRB (0.62) RAB9AALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL12266910 0.73 CSF1R (0.49) RAB9AALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL2967412 0.73 RAB9A (0.42) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1

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 6 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

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 NOTUM 2822/4885RAB9A 1234/4885ALDH1A1 4164/4885

“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.