SCHEMBL4014610

SCHEMBL4014610

COC(=O)N(CO)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL9457128 0.82 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2NPC1MAPT
SCHEMBL2311749 0.80 SMN1; SMN2 (0.47) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL2312487 0.80 MEN1 (0.48) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL1815772 0.80 SMN1; SMN2 (0.47) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL9848814 0.80 MEN1 (0.46) ALDH1A1LMNAHTTKDM4ESMN1; SMN2
SCHEMBL9167642 0.79 MEN1 (0.53) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL28025970 0.78 SMN1; SMN2 (0.44) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL29053510 0.77 MEN1 (0.43) ALDH1A1LMNAHTTKDM4ESMN1; SMN2
SCHEMBL3412211 0.76 ALDH1A1 (0.52) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL1820379 0.76 MEN1 (0.47) ALDH1A1LMNAHTTKDM4ESMN1; SMN2

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 4322/4885LMNA 1858/4885HTT 1548/4885

“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.