SCHEMBL4171507

SCHEMBL4171507

Cc1cc(Nc2cncc(Nc3cccc([N+](=O)[O-])c3)n2)nn1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.56
MEN1 O00255 9/20 0.56
MAPT P10636 7/20 0.56
ABCC1 P33527 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
MAPK1 P28482 1/20 0.44
ROCK1 Q13464 1/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 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
SCHEMBL4171503 1.00 KMT2A (0.56) KMT2AMEN1MAPTABCC1ABCG2
SCHEMBL4021170 0.85 MAPT (0.62) KMT2AMEN1MAPTTP53ALOX15
SCHEMBL4167089 0.83 MAPT (0.49) KMT2AMEN1MAPTTP53ALOX15
SCHEMBL4164227 0.77 MAPT (0.59) KMT2AMEN1MAPTTP53ALOX15
SCHEMBL4015446 0.76 MAPT (0.44) KMT2AMEN1MAPTTP53ALOX15
SCHEMBL4175934 0.74 BRAF (0.50) KMT2AMEN1MAPTTP53ALOX15
SCHEMBL4303619 0.72 MAPT (0.54) KMT2AMEN1MAPTTP53ALOX15
SCHEMBL4295172 0.70 MAPT (0.42) KMT2AMEN1MAPTTP53ALOX15
SCHEMBL18284942 0.67 MEN1 (0.43) KMT2AMEN1MAPTABCC1ABCG2
SCHEMBL5253099 0.66 HCAR3 (0.63) KMT2AMEN1MAPTABCC1ABCG2

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 2 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 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 KMT2A 844/4885MEN1 3321/4885MAPT 758/4885

“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.