SCHEMBL4021170

SCHEMBL4021170

Cc1cc(Nc2cncc(Nc3ccccc3)n2)nn1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TP53 P04637 1/20 0.62
ALOX15 P16050 1/20 0.62
BRAF P15056 6/20 0.46
KDM4E B2RXH2 2/20 0.45
CDK2 P24941 1/20 0.44
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
TYK2 P29597 1/20 0.39
ALPG P10696 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
STK16 O75716 1/20 0.38
FYN P06241 1/20 0.38
SRC P12931 1/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL4164227 0.89 MAPT (0.59) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4167089 0.88 MAPT (0.49) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4175934 0.85 BRAF (0.50) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4303619 0.85 MAPT (0.54) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4171507 0.85 KMT2A (0.56) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4015446 0.83 MAPT (0.44) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4014355 0.82 MAPT (0.43) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4295172 0.74 MAPT (0.42) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL14308717 0.73 CDK2 (0.74) MAPTMEN1KMT2AALOX15BRAF
SCHEMBL12678028 0.69 CDK2 (0.62) MAPTMEN1KMT2ABRAFKDM4E

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

“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.