SCHEMBL1048741

SCHEMBL1048741

COc1ccc(Cn2cc(C(=N)N)c(C(F)(F)F)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 14/20 0.48
GAA P10253 1/20 0.47
DGAT1 O75907 1/20 0.45
AADAT Q8N5Z0 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL20521837 0.88 GAA (0.53) KLKB1GAADGAT1AADAT
SCHEMBL14150628 0.88 KLKB1 (0.48) KLKB1GAADGAT1AADATHSP90AA1
SCHEMBL2361709 0.84 GAA (0.54) KLKB1GAADGAT1
SCHEMBL3355699 0.84 GAA (0.54) KLKB1GAADGAT1
SCHEMBL15049569 0.83 GAA (0.59) KLKB1GAADGAT1
SCHEMBL3354465 0.82 KMT2A (0.44) KLKB1AADATHSP90AA1HSP90AB1
SCHEMBL7980023 0.81 KLKB1 (0.60) KLKB1GAADGAT1
SCHEMBL3356363 0.81 GAA (0.51) KLKB1GAADGAT1
SCHEMBL17459119 0.81 HSP90AA1 (0.43) KLKB1GAADGAT1AADATHSP90AA1
SCHEMBL1049941 0.80 GAA (0.56) KLKB1GAADGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513252-B2 Pyrazole derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-08-20 US disclosed
EP-2456769-B1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-06-26 EP disclosed
EP-2456769-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2012-05-30 EP disclosed
US-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NISSAN MOTOR CO., LTD. (JP) 2012-05-17 US disclosed
WO-2011010222-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-01-27 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-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM1, GRM4, GRM3 KLKB1 4616/4885GAA 3765/4885DGAT1 3599/4885

“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.