SCHEMBL4299949

SCHEMBL4299949

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
STAT3 P40763 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NR1I3 Q14994 1/20 0.40
RORC P51449 1/20 0.40
CYP17A1 P05093 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
GAA P10253 1/20 0.39
GSTO1 P78417 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL3789950 0.87 CA12 (0.48) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL4168732 0.85 KMT2A (0.62) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL4168735 0.83 MEN1 (0.44) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL16303890 0.81 EPHX1 (0.58) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL6680965 0.80 ALDH1A1 (0.46) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL4019922 0.80 KMT2A (0.50) MEN1KMT2AALDH1A1HTTRORC
SCHEMBL17507346 0.79 CA12 (0.44) MEN1KMT2ACA12CA1CA9
SCHEMBL30064575 0.79 CA12 (0.48) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL5744348 0.79 CA12 (0.48) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL3783697 0.79 CA12 (0.48) MEN1KMT2AALDH1A1CA12CA1

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 1 patent. 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

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 MEN1 3321/4885KMT2A 844/4885ALDH1A1 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.