SCHEMBL12416420

SCHEMBL12416420

Cc1cccc(C(=O)Nc2cncc(N(C)c3cncnc3)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.77
NT5E P21589 1/20 0.55
KCNK3 O14649 4/20 0.53
KCNK9 Q9NPC2 3/20 0.53
KCNH2 Q12809 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CSF1R P07333 1/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL12411995 0.91 GRM5 (0.64) GRM5NT5EKCNK3KCNK9KCNH2
SCHEMBL12416470 0.88 GRM5 (0.78) GRM5NT5EKCNK3KCNK9KCNH2
SCHEMBL6927318 0.87 GRM5 (1.00) GRM5MEN1KMT2A
SCHEMBL2193262 0.87 GRM5 (1.00) GRM5MEN1KMT2ACSF1RNPC1
SCHEMBL6926675 0.87 GRM5 (0.76) GRM5
SCHEMBL12412012 0.86 GRM5 (0.68) GRM5NT5EKCNK3KCNK9KCNH2
SCHEMBL12412008 0.86 GRM5 (0.59) GRM5NT5EKCNK3KCNK9KCNH2
SCHEMBL12416421 0.85 GRM5 (0.80) GRM5NT5EKCNK3KCNK9KCNH2
SCHEMBL6928690 0.85 GRM5 (0.72) GRM5
SCHEMBL12504638 0.85 KCNK3 (0.59) GRM5NT5EKCNK3KCNK9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569308-B2 Substituted heteroarylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-10-29 US disclosed
US-20110172247-A1 SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 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-20110172247-A1 SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 GRM5 1/4885NT5E 575/4885KCNK3 1333/4885

“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.