SCHEMBL4178647

SCHEMBL4178647

Cc1cc(Nc2cncc(Nc3ccc(C)c(NC4CCCC4)c3)n2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.44
JAK3 P52333 3/20 0.44
LRRK2 Q5S007 1/20 0.42
DHODH Q02127 1/20 0.40
PLK4 O00444 3/20 0.39
PAK4 O96013 3/20 0.39
KCNH2 Q12809 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
SYK P43405 1/20 0.36
AURKA O14965 1/20 0.36
RIPK1 Q13546 1/20 0.36
AURKB Q96GD4 1/20 0.36
GALR2 O43603 1/20 0.36
GALR1 P47211 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL13663528 0.89 PLK4 (0.44) JAK2JAK3LRRK2DHODHPLK4
SCHEMBL4173829 0.87 JAK3 (0.41) JAK2JAK3LRRK2KCNH2AURKA
SCHEMBL4176741 0.84 AURKA (0.49) JAK2JAK3LRRK2PLK4PAK4
SCHEMBL13663521 0.83 JAK2 (0.54) JAK2JAK3DHODHAURKAAURKB
SCHEMBL4175007 0.82 JAK3 (0.49) JAK2JAK3LRRK2PLK4PAK4
SCHEMBL4018379 0.81 AURKA (0.50) JAK2JAK3LRRK2PLK4PAK4
SCHEMBL13663537 0.81 JAK2 (0.50) JAK2JAK3DHODHPLK4PAK4
SCHEMBL4174615 0.80 JAK3 (0.41) JAK2JAK3KCNH2AURKARIPK1
SCHEMBL4169636 0.79 KDR (0.50) JAK2JAK3DHODHKCNH2SYK
SCHEMBL4166994 0.79 AURKA (0.41) JAK2JAK3LRRK2DHODHPLK4

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
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

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 35/4885LRRK2 92/4885

“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.