SCHEMBL4173871

SCHEMBL4173871

Cc1cc(Nc2cncc(Nc3cccc(NC(=O)OCc4ccccc4)c3)n2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.48
ENPP2 Q13822 4/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.45
BLK P51451 1/20 0.45
BTK Q06187 1/20 0.45
BRAF P15056 1/20 0.43
EGFR P00533 1/20 0.43
KIT P10721 1/20 0.42
KDR P35968 2/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL4167543 0.86 BRAF (0.52) BRAFEGFR
SCHEMBL4166885 0.84 MEN1 (0.47) BRAFEGFRKDRROCK2
SCHEMBL4165822 0.82 BRAF (0.59) BRAFEGFR
SCHEMBL13663508 0.79 AURKA (0.43) BTKEGFRKDR
SCHEMBL4017639 0.78 ABCG2 (0.47) BTKBRAFKDR
SCHEMBL13665894 0.78 MGLL (0.45) MGLLENPP2LMNAMAPTMAPK1
SCHEMBL4161735 0.76 TNIK (0.46) LMNAMAPK1EGFRKDR
SCHEMBL13663480 0.75 NPC1 (0.51) MAPTPOLBBRAFEGFR
SCHEMBL4167316 0.75 TNIK (0.43) LMNAEGFRKIT
SCHEMBL4161632 0.74 CDK2 (0.47)

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 4 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

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 MGLL 3651/4885ENPP2 1221/4885LMNA 1858/4885

“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.