SCHEMBL12489152

SCHEMBL12489152

Nc1ccc(-c2cc(-c3cccc(F)c3)cnc2N)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.71
FYN P06241 7/20 0.64
TAAR1 Q96RJ0 1/20 0.64
MAP4K4 O95819 7/20 0.55
USP7 Q93009 3/20 0.55
MKNK1 Q9BUB5 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
SCHEMBL4620369 0.88 USP7 (0.73) CHEK2FYNMAP4K4USP7
SCHEMBL4620478 0.83 CHEK2 (1.00) CHEK2FYNMAP4K4MKNK1
SCHEMBL4470993 0.82 CHEK2 (0.56) CHEK2FYNTAAR1MAP4K4USP7
SCHEMBL4619476 0.82 CHEK2 (0.64) CHEK2FYNMAP4K4USP7MKNK1
SCHEMBL29817852 0.79 TAAR1 (1.00) CHEK2TAAR1MAP4K4
SCHEMBL3787868 0.79 TAAR1 (1.00) CHEK2TAAR1MAP4K4
SCHEMBL18613285 0.79 FYN (1.00) CHEK2FYN
SCHEMBL30521772 0.79 FYN (1.00) CHEK2FYN
SCHEMBL4619240 0.76 FYN (1.00) FYN
SCHEMBL4173910 0.76 NTRK1 (0.70)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962623-B2 Aminopyrazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20140187529-A1 AMINOPYRAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
WO-2012121939-A2 AMINOPYRAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 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-20140187529-A1 AMINOPYRAZINE COMPOUNDS ITK, IL4I1, IL5 CHEK2 3233/4885FYN 709/4885TAAR1 2049/4885

“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.