SCHEMBL4340971

SCHEMBL4340971

NC(=O)c1nccc(-c2cc3cncnc3s2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.36
IKBKB O14920 2/20 0.36
JAK3 P52333 3/20 0.35
CDK2 P24941 2/20 0.35
CSNK2A1 P68400 2/20 0.35
LIMK1 P53667 2/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
CHEK2 O96017 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR3 P22607 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MARK3 P27448 1/20 0.35

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
SCHEMBL4340975 0.91 JAK3 (0.37) CDC7IKBKBJAK3CDK2CSNK2A1
SCHEMBL2848953 0.74 ADORA2A (0.46) IKBKBCHEK2MAPK8KDM4EMAP2
SCHEMBL5268082 0.74 ALDH1A1 (0.48) CSNK2A1FGFR1MAPK1KMT2AKDM4E
SCHEMBL980181 0.69 IDO1 (0.47) CDC7CSF1RMAP2
SCHEMBL19900630 0.69 MAP2K1 (0.38) IKBKBMAPK8MAP2
Formamide SCHEMBL29058737 0.69 ADORA2A (0.42) IKBKBCHEK2MAPK8KDM4EMAP2
SCHEMBL19900629 0.68 CHEK2 (0.39) CDC7IKBKBJAK3CDK2CSNK2A1
SCHEMBL23067310 0.66 MAP2K3 (0.50) CDC7IKBKBCDK2CDK1GSK3B
SCHEMBL5073476 0.66 DAPK3 (0.49) CDC7JAK3CDK2CSNK2A1LIMK1
SCHEMBL30396687 0.66 DAPK3 (0.49) CDC7JAK3CDK2CSNK2A1LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 CDC7 704/4885IKBKB 705/4885JAK3 301/4885

“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.