SCHEMBL4013576

SCHEMBL4013576

Cc1cc(Nc2cncc(Nc3ccc(Cl)c(NC(=O)Nc4ccccc4)c3)n2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRAF P15056 1/20 0.43
AURKA O14965 7/20 0.42
AURKB Q96GD4 6/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
JAK2 O60674 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
SCHEMBL4170849 0.90 MEN1 (0.49) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4165887 0.89 JAK2 (0.42) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL4016167 0.89 JAK2 (0.45) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4171530 0.87 IGF1R (0.48) BRAFAURKAAURKBJAK2JAK3
SCHEMBL4166885 0.87 MEN1 (0.47) NPC1RAB9AMEN1KMT2ABRAF
SCHEMBL4165669 0.86 MEN1 (0.47) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL4161569 0.86 ROCK2 (0.51) MEN1KMT2AAURKAAURKBKDR
SCHEMBL4159368 0.85 PLK4 (0.48) MEN1KMT2AKDM4EMAPTNPSR1
SCHEMBL4156999 0.85 TNIK (0.43) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL4177008 0.83 RAB9A (0.46) NPC1RAB9AMEN1KMT2AAURKA

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 NPC1 2810/4885RAB9A 2850/4885MEN1 3321/4885

“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.