SCHEMBL4019922

SCHEMBL4019922

CC(C)Nc1cc(NC(=O)O)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
P2RY1 P47900 1/20 0.41
CYP3A4 P08684 1/20 0.41
APEX1 P27695 1/20 0.41
GSTO1 P78417 1/20 0.41
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL4020245 0.83 KMT2A (0.72) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL4299949 0.80 MEN1 (0.44) KMT2AMEN1ALDH1A1KDM4EGSTO1
SCHEMBL2093174 0.75 NPC1 (0.59) KMT2AMEN1EPHX1EPHX2MAPT
SCHEMBL1092135 0.75 EPHX1 (0.73) KMT2AMEN1ALDH1A1EPHX1EPHX2
SCHEMBL17507340 0.74 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL2123696 0.73 EPHX1 (0.46) KMT2AMEN1ALDH1A1EPHX1EPHX2
Fluoride SCHEMBL11787935 0.73 EPHX1 (0.70) KMT2AMEN1ALDH1A1EPHX1EPHX2
Hydrochloric Acid SCHEMBL11153269 0.73 EPHX1 (0.70) KMT2AMEN1ALDH1A1EPHX1EPHX2
SCHEMBL4015596 0.73 MEN1 (0.63) KMT2AMEN1ALDH1A1EPHX1EPHX2
SCHEMBL13570548 0.72 TOP2A (0.54) ALDH1A1MAPTNPC1KDM4E

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 3321/4885ALDH1A1 4322/4885

“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.