SCHEMBL13968596

SCHEMBL13968596

CC(=O)c1cc2n(n1)CCN(Cc1ccccc1)C2=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
PKM P14618 1/20 0.60
CYP2C9 P11712 1/20 0.55
NAMPT P43490 1/20 0.52
THRB P10828 1/20 0.49
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
BRD4 O60885 1/20 0.44

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
SCHEMBL2534800 0.85 SMN1; SMN2 (0.62) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL2526216 0.85 ALDH1A1 (0.64) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL12233149 0.82 POLB (0.53) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL4494006 0.79 ALDH1A1 (0.82) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL4485648 0.78 POLB (1.00) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL12092840 0.77 ITGB3 (0.56) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL12284107 0.77 PKM (0.59) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL12210642 0.76 PKM (0.61) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL16270108 0.75 GRM5 (0.64) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL18361787 0.74 POLB (0.51) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255103-B2 Substituted pyrazolo[1,5-a]pyrazines as mGluR5 receptor modulators VANDERBILT UNIVERSITY (US) 2016-02-09 US disclosed
US-20140213593-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY 2014-07-31 US disclosed
US-8703946-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2014-04-22 US disclosed
US-20120295913-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY 2012-11-22 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 (2 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-20140213593-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM3 POLB 4591/4885SMN1; SMN2 2961/4885ALDH1A1 4491/4885
US-20120295913-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM3 POLB 4591/4885SMN1; SMN2 2961/4885ALDH1A1 4491/4885

“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.