SCHEMBL4014462

SCHEMBL4014462

Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
KMT2A Q03164 8/20 0.60
MEN1 O00255 5/20 0.60
MAPT P10636 5/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MYOC Q99972 1/20 0.60
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
POLB P06746 2/20 0.58
MAPK1 P28482 1/20 0.58
HPGD P15428 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX12 P18054 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL11332313 0.88 KMT2A (0.71) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL27907247 0.84 HTT (0.63) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL9507931 0.83 GRIK1 (0.55) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7861107 0.83 CXCR1 (0.63) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL11666581 0.83 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL21750971 0.82 MAPK1 (0.62) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL4320215 0.82 HTT (0.68) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL4320209 0.82 HTT (0.68) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL9508005 0.81 SMN1; SMN2 (0.54) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL427418 0.80 HTT (0.67) ALDH1A1KMT2AMEN1MAPTHTT

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 ALDH1A1 4322/4885KMT2A 844/4885MEN1 3321/4885

“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.