SCHEMBL4019638

SCHEMBL4019638

Cc1cc(Nc2cncc(Nc3cccc(NC(=O)c4ccccc4)c3)n2)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.59
CDK2 P24941 2/20 0.59
CCNA1 P78396 2/20 0.59
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNK3 O14649 6/20 0.49
KCNK9 Q9NPC2 4/20 0.49
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
CSF1R P07333 1/20 0.47
EGFR P00533 1/20 0.46
PRKD3 O94806 1/20 0.46
ABL1 P00519 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PDGFRB P09619 1/20 0.46
BCR P11274 1/20 0.46

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
SCHEMBL4166885 0.89 MEN1 (0.47) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL4165822 0.87 BRAF (0.59) EGFRSRCBRAFAURKAAURKB
SCHEMBL4167543 0.85 BRAF (0.52) NPC1RAB9AEGFRBRAFAURKA
SCHEMBL13663476 0.83 IGF1R (0.56) CCNA2CDK2CCNA1RAB9AMEN1
SCHEMBL4173871 0.82 MGLL (0.48) POLBEGFRBRAF
SCHEMBL4159368 0.82 PLK4 (0.48) CCNA2CDK2CCNA1SMN1; SMN2MEN1
SCHEMBL4176140 0.81 MAPT (0.50) RAB9AEGFRABL1SRCBRAF
SCHEMBL13663484 0.79 JAK2 (0.49) NPC1RAB9ASMN1; SMN2EGFRSRC
SCHEMBL4161632 0.79 CDK2 (0.47) CDK2SRCAURKAAURKB
SCHEMBL4177748 0.79 KIT (0.49) CDK2SRCAURKA

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 CCNA2 1323/4885CDK2 67/4885CCNA1 1292/4885

“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.