SCHEMBL4162147

SCHEMBL4162147

Cc1cc(Nc2cncc(Nc3cccc(C#N)c3)n2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.48
SLC2A1 P11166 2/20 0.46
JAK2 O60674 3/20 0.45
JAK3 P52333 2/20 0.45
BRAF P15056 1/20 0.44
IGF1R P08069 1/20 0.44
AURKA O14965 5/20 0.44
EGFR P00533 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLK4 O00444 1/20 0.42
NTRK1 P04629 1/20 0.42
SYK P43405 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL4176790 0.86 AURKA (0.56) ABCG2JAK2JAK3IGF1RAURKA
SCHEMBL4175545 0.84 BRAF (0.58) JAK2JAK3BRAFAURKAPLK4
SCHEMBL13663484 0.84 JAK2 (0.49) JAK2JAK3BRAFIGF1RAURKA
SCHEMBL13663476 0.82 IGF1R (0.56) JAK2JAK3BRAFIGF1RAURKA
SCHEMBL13663485 0.81 AURKA (0.58) ABCG2JAK2JAK3BRAFIGF1R
SCHEMBL13663516 0.80 DHODH (0.47) ABCG2JAK2JAK3IGF1RAURKA
SCHEMBL4183689 0.79 IDO1 (0.55) JAK2JAK3AURKANTRK1AURKB
SCHEMBL13663495 0.79 JAK2 (0.62) JAK2JAK3IGF1RAURKAPLK4
SCHEMBL13663492 0.79 JAK2 (0.49) JAK2JAK3IGF1RAURKAEGFR
SCHEMBL4017639 0.79 ABCG2 (0.47) ABCG2JAK2JAK3BRAFIGF1R

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 7 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
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-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

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 3665/4885SLC2A1 4472/4885JAK2 39/4885

“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.