SCHEMBL868808

SCHEMBL868808

Cn1ncc([N+](=O)[O-])c1CCl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13764827 0.82 GAA (0.45) MEN1KMT2AGAAPOLBPKM
SCHEMBL868203 0.82 GAA (0.42) MEN1KMT2AGAAPOLBPKM
SCHEMBL27849207 0.79 GAA (0.40) MEN1KMT2AGAAPOLBPKM
SCHEMBL26124247 0.79 TDP1 (0.40) MEN1KMT2AGAAPOLBPKM
SCHEMBL5410258 0.78 GAA (0.48) MEN1KMT2AGAAPOLBPKM
SCHEMBL5717649 0.77 GAA (0.44) MEN1KMT2AGAAPOLBPKM
SCHEMBL21960922 0.76 GAA (0.38) MEN1KMT2AGAAPOLBPKM
SCHEMBL2521727 0.76 MEN1 (0.48) MEN1KMT2AGAAPOLBPKM
SCHEMBL15608878 0.74 TDP1 (0.45) MEN1KMT2AGAAPOLBPKM
SCHEMBL16962473 0.73 MEN1 (0.36) MEN1KMT2AGAAPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031807-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY Auckland UniServices Limited (NZ) 2016-06-15 EP disclosed
CN-105541836-A Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LTD 2016-05-04 CN disclosed
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
CN-102348708-A Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LTD 2012-02-08 CN disclosed
EP-2406262-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY Auckland UniServices Limited (NZ) 2012-01-18 EP disclosed
WO-2010104406-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-16 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 (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 MEN1 3882/4885KMT2A 1235/4885GAA 3805/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K MEN1 3948/4885KMT2A 1810/4885GAA 3867/4885

“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.