SCHEMBL4167474

SCHEMBL4167474

Cc1cc(Nc2cncc(Nc3ccc(Cl)c(C(=O)O)c3)n2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
AURKA O14965 8/20 0.42
AURKB Q96GD4 6/20 0.42
CSNK2A1 P68400 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DHODH Q02127 1/20 0.41
GSK3B P49841 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SYK P43405 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4176449 0.89 AURKA (0.42) JAK2JAK3AURKAAURKBNPC1
SCHEMBL4019395 0.89 AURKA (0.51) JAK2JAK3AURKAAURKBPOLB
SCHEMBL4161296 0.88 JAK2 (0.41) JAK2JAK3AURKAAURKBCSNK2A1
SCHEMBL4159368 0.88 PLK4 (0.48) AURKAAURKBKDM4EMAPTGSK3B
SCHEMBL4161527 0.86 JAK2 (0.44) JAK2JAK3AURKAAURKBDHODH
SCHEMBL4171530 0.85 IGF1R (0.48) JAK2JAK3AURKAAURKBGSK3B
SCHEMBL13663558 0.85 AURKA (0.54) JAK2JAK3AURKAAURKBNPC1
SCHEMBL4176112 0.84 RET (0.53) JAK2JAK3AURKAAURKBKDM4E
SCHEMBL4014404 0.84 JAK2 (0.46) JAK2JAK3AURKAAURKBNPC1
SCHEMBL13663498 0.83 JAK2 (0.47) JAK2JAK3AURKAAURKBNPC1

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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
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 disclosed
WO-2007103374-A9 TOXICITY SCREENING METHODS CEETOX INC (US) 2009-01-15 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 JAK2 39/4885JAK3 35/4885AURKA 408/4885

“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.