SCHEMBL4017639

SCHEMBL4017639

Cc1cc(Nc2cncc(Nc3cccc(CO)c3)n2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.47
JAK2 O60674 3/20 0.45
JAK3 P52333 3/20 0.45
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
SYK P43405 2/20 0.41
PAK4 O96013 6/20 0.41
PLK4 O00444 5/20 0.41
AURKA O14965 4/20 0.41
IGF1R P08069 2/20 0.41
AURKB Q96GD4 2/20 0.41
GSK3B P49841 2/20 0.41
DAPK3 O43293 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 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
SCHEMBL4162026 0.85 NEK2 (0.45) JAK2JAK3AURKAAURKBCSF1R
SCHEMBL13663484 0.84 JAK2 (0.49) JAK2JAK3PAK4PLK4AURKA
SCHEMBL13663508 0.82 AURKA (0.43) JAK2JAK3PAK4PLK4AURKA
SCHEMBL13663476 0.82 IGF1R (0.56) JAK2JAK3PAK4PLK4AURKA
SCHEMBL4170907 0.81 JAK2 (0.45) JAK2JAK3AURKAIGF1RAURKB
SCHEMBL13663485 0.81 AURKA (0.58) ABCG2JAK2JAK3AURKAIGF1R
SCHEMBL4165822 0.80 BRAF (0.59) AURKAAURKBSRCBRAF
SCHEMBL13663516 0.80 DHODH (0.47) ABCG2JAK2JAK3SYKPAK4
SCHEMBL4159060 0.79 IDO1 (0.44) JAK2JAK3PAK4PLK4AURKA
SCHEMBL13663495 0.79 JAK2 (0.62) JAK2JAK3SYKPAK4PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US claimed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 WO claimed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 ABCG2 3665/4885JAK2 39/4885JAK3 35/4885

“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.