SCHEMBL4169987

SCHEMBL4169987

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.49
JAK3 P52333 6/20 0.49
DHODH Q02127 1/20 0.42
AURKB Q96GD4 10/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AURKA O14965 7/20 0.38
ITK Q08881 1/20 0.36
NTRK1 P04629 2/20 0.36
CDK2 P24941 2/20 0.36
IGF1R P08069 1/20 0.35
STAT5B P51692 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
SCHEMBL4175167 0.89 JAK2 (0.47) JAK2JAK3DHODHAURKBMEN1
SCHEMBL13663537 0.84 JAK2 (0.50) JAK2JAK3DHODHAURKBMEN1
SCHEMBL13663521 0.81 JAK2 (0.54) JAK2JAK3DHODHAURKBMEN1
SCHEMBL13663540 0.81 JAK2 (0.56) JAK2JAK3DHODHAURKBMEN1
SCHEMBL4170907 0.80 JAK2 (0.45) JAK2JAK3DHODHAURKBMEN1
SCHEMBL4015863 0.79 JAK2 (0.48) JAK2JAK3DHODHAURKBMEN1
SCHEMBL4019556 0.79 DHODH (0.45) JAK2JAK3DHODHAURKBMEN1
SCHEMBL13663539 0.79 AURKA (0.50) JAK2JAK3DHODHAURKBNPC1
SCHEMBL13663574 0.79 DHODH (0.55) JAK2JAK3DHODHAURKBMEN1
SCHEMBL13663498 0.78 JAK2 (0.47) JAK2JAK3DHODHAURKBMEN1

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 JAK2 39/4885JAK3 35/4885DHODH 3096/4885

“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.