SCHEMBL4170137

SCHEMBL4170137

CCC(=O)c1ncc(Nc2cc(C)n(C(=O)O)n2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
PIK3CD O00329 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL4014355 0.74 MAPT (0.43) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4021170 0.68 MAPT (0.62) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4295743 0.67 TDP1 (0.38) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL4015446 0.67 MAPT (0.44) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4175934 0.66 BRAF (0.50) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL24930130 0.64 ALDH1A1 (0.45) MAPTALDH1A1
SCHEMBL19469174 0.62 MAPT (0.43) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4457538 0.61 TSHR (0.60) MEN1KMT2AALDH1A1
SCHEMBL4015445 0.60 MAPT (0.37) MAPTMEN1KMT2ATP53ALOX15
Hydrochloric Acid SCHEMBL11561048 0.60 TSHR (0.58) MEN1KMT2AALDH1A1

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.