SCHEMBL4168732

SCHEMBL4168732

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 2/20 0.45
GRM4 Q14833 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PSMB8 P28062 1/20 0.40
PDK2 Q15119 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
SCHEMBL3789950 0.89 CA12 (0.48) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL4299949 0.85 MEN1 (0.44) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL4168735 0.82 MEN1 (0.44) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL4299453 0.82 MEN1 (0.54) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL6680965 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1LMNACA12
SCHEMBL4020245 0.80 KMT2A (0.72) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL16303890 0.80 EPHX1 (0.58) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL3439959 0.78 CA12 (0.44) KMT2AALDH1A1LMNAHTTCA12
SCHEMBL17507346 0.78 CA12 (0.44) KMT2AMEN1LMNAHTTCA12
SCHEMBL18757476 0.78 CA12 (0.46) KMT2AMEN1ALDH1A1CA12CA1

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.