SCHEMBL14738828

SCHEMBL14738828

Clc1ccc2c(-c3n[nH]c4cc(Cl)ccc34)n[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.63
TRPA1 O75762 2/20 0.49
PDPK1 O15530 1/20 0.48
HSP90AB1 P08238 1/20 0.48
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR3 P22607 1/20 0.47
GSK3B P49841 2/20 0.46
ESR1 P03372 1/20 0.46
IDO1 P14902 1/20 0.44
HTR2A P28223 1/20 0.44
DAO P14920 1/20 0.44
NOS1 P29475 1/20 0.44
DYRK1A Q13627 1/20 0.44
MAPK10 P53779 2/20 0.43
MAPK14 Q16539 2/20 0.43
MAPK8 P45983 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CHEK1 O14757 1/20 0.41

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
SCHEMBL4032441 0.84 PDPK1 (0.75) MAP2K4PDPK1HSP90AB1FGFR1FGFR2
SCHEMBL9271850 0.84 MAP2K4 (0.64) MAP2K4TRPA1PDPK1HSP90AB1FGFR1
SCHEMBL3593032 0.83 MAP2K4 (0.50) MAP2K4TRPA1GSK3BDAONOS1
SCHEMBL4032487 0.81 MAP2K4 (0.61) MAP2K4TRPA1PDPK1HSP90AB1FGFR1
SCHEMBL4502873 0.81 PDPK1 (0.60) MAP2K4TRPA1PDPK1GSK3BCHEK1
SCHEMBL22819380 0.80 MAP2K4 (0.63) MAP2K4TRPA1PDPK1HSP90AB1FGFR1
SCHEMBL1553907 0.79 MAP2K4 (0.47) MAP2K4TRPA1GSK3BDAONOS1
SCHEMBL15529807 0.79 GSK3B (0.48) MAP2K4TRPA1PDPK1GSK3BDAO
SCHEMBL2955244 0.79 MAP2K4 (0.55) MAP2K4TRPA1PDPK1HSP90AB1FGFR1
SCHEMBL3155790 0.79 CHEK1 (0.50) MAP2K4TRPA1GSK3BDAONOS1

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 MAP2K4 772/4885TRPA1 4079/4885PDPK1 98/4885

“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.