SCHEMBL10102782

SCHEMBL10102782

CCc1nc([N+](=O)[O-])c(COC(C)=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
JAK2 O60674 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MITF O75030 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
SCHEMBL10102750 0.84 KMT2A (0.41) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11982518 0.83 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL12824763 0.82 KMT2A (0.40) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL10102749 0.82 KMT2A (0.40) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL10102780 0.79 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL10102775 0.77 KMT2A (0.37) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL10108288 0.77 CYP1A2 (0.32) ALDH1A1CYP1A2CYP2C19
SCHEMBL10102781 0.76 MAPT (0.39) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11867402 0.76 MAPT (0.43) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11862134 0.73 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 US disclosed
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 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-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 US disclosed
US-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 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-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 US disclosed
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
WO-2011028135-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-10 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 (4 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 1235/4885MEN1 3882/4885ALDH1A1 3257/4885
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, ERBB3 KMT2A 810/4885MEN1 2350/4885ALDH1A1 2362/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K KMT2A 1810/4885MEN1 3948/4885ALDH1A1 3205/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 KMT2A 744/4885MEN1 2320/4885ALDH1A1 2355/4885

“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.