SCHEMBL10102750

SCHEMBL10102750

CC(=O)OCc1c([N+](=O)[O-])nc(CC#N)n1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10102782 0.84 KMT2A (0.39) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL11982518 0.81 KMT2A (0.50) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL10102747 0.81 ALDH1A1 (0.36) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL10102752 0.79 KMT2A (0.33) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL10102749 0.78 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL12824763 0.78 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL11862134 0.77 KMT2A (0.42) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL10102775 0.76 KMT2A (0.37) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL11867402 0.72 MAPT (0.43) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL11870246 0.70 KMT2A (0.36) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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 (2 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K KMT2A 1235/4885SMN1; SMN2 4190/4885ALDH1A1 3257/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K KMT2A 1810/4885SMN1; SMN2 4140/4885ALDH1A1 3205/4885

“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.