SCHEMBL14915939

SCHEMBL14915939

Cn1cc(-n2ccc(=O)c(CCc3ccc4c(c3)NCCN4)n2)cn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.33
MET P08581 1/20 0.31
EPHX2 P34913 1/20 0.31
NTRK1 P04629 1/20 0.30

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
SCHEMBL371361 0.86 KDM5A (0.30) KDM5A
SCHEMBL369021 0.82 MET (0.39) MET
SCHEMBL359649 0.80 GFER (0.33) KDM5AMET
SCHEMBL164181 0.79 MET (0.53) MET
SCHEMBL2343070 0.79 ALDH1A1 (0.41) MET
SCHEMBL368067 0.79 MET (0.39) MET
SCHEMBL371368 0.78 RIPK2 (0.37) MET
SCHEMBL12503525 0.75 EP300 (0.38) MET
SCHEMBL359630 0.75 MET (0.42) MET
SCHEMBL158835 0.74 CYP2C9 (0.35) KDM5A

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-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET KDM5A 584/4885MET 3/4885EPHX2 2790/4885

“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.