SCHEMBL17610429

SCHEMBL17610429

O=C(O)c1ccncc1Nc1cc(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.56
LMNA P02545 5/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.56
GAA P10253 4/20 0.56
KMT2A Q03164 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
MAPK1 P28482 3/20 0.56
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 1/20 0.51
NTRK1 P04629 3/20 0.50
KDM5A P29375 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL17619646 0.97 GRM5 (0.53) GRM5LMNAMAPTMEN1GAA
SCHEMBL17610565 0.89 GRM5 (0.53) GRM5LMNAMAPTMEN1GAA
SCHEMBL8352302 0.87 MAPT (0.66) GRM5LMNAMAPTMEN1GAA
SCHEMBL17619523 0.86 GRM5 (0.49) GRM5LMNAMAPTMEN1GAA
SCHEMBL17619630 0.85 KDM4C (0.60) MAPTKDM4EKDM5AKDM4CKDM5B
SCHEMBL17610516 0.85 GFER (0.62) LMNAMAPTGAAMAPK1NTRK1
SCHEMBL17610326 0.82 KDM4C (0.53) KDM4EKDM5AKDM4CKDM5B
SCHEMBL17610424 0.82 KDM4C (0.51) KDM4EKDM5AKDM4CKDM5B
SCHEMBL17619632 0.80 KDM4C (0.49) LMNAMAPTGAAKDM4EKDM5A
SCHEMBL17610459 0.79 KDM4C (0.55) MAPTKDM4EKDM5AKDM4CKDM5B

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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 GRM5 1609/4885LMNA 2766/4885MAPT 4400/4885

“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.