SCHEMBL17334358

SCHEMBL17334358

COc1ccc(CN2CCn3nc(CNc4ccc(OC(F)F)cc4F)cc3C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL17334272 0.82
SCHEMBL17334424 0.82
SCHEMBL17340787 0.80 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL17334400 0.79
SCHEMBL17334273 0.79
SCHEMBL17334268 0.79
SCHEMBL17334241 0.79
SCHEMBL17334386 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL17334335 0.78
SCHEMBL17334421 0.78 GRM5 (0.58)

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
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 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-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 GRM3, GRM1, GRIN3A ALDH1A1 4735/4885CYP1A2 4630/4885CYP2C19 4116/4885

“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.