SCHEMBL867643

SCHEMBL867643

COc1nc([N+](=O)[O-])c(CBr)n1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL10108281 0.82 GAA (0.35) GAAMAPTHTTALDH1A1KMT2A
SCHEMBL10102725 0.78 GAA (0.34) GAAMAPTPOLBHTTALDH1A1
SCHEMBL867642 0.78 KMT2A (0.41) GAAMAPTPOLBHTTALDH1A1
SCHEMBL10102761 0.77 KDM4E (0.39) GAAMAPTPOLBHTTALDH1A1
SCHEMBL16882296 0.76 ALDH1A1 (0.35) GAAMAPTPOLBHTTALDH1A1
SCHEMBL10102781 0.75 MAPT (0.39) GAAMAPTPOLBHTTALDH1A1
SCHEMBL10102756 0.74 MAPT (0.32) GAAMAPTALDH1A1KDM4E
SCHEMBL10102721 0.74 MAPT (0.32) GAAMAPTALDH1A1KDM4E
SCHEMBL10102752 0.74 KMT2A (0.33) GAAMAPTPOLBHTTALDH1A1
SCHEMBL10108153 0.73 MAPT (0.32) GAAMAPT

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 8 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
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
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 GAA 3805/4885MAPT 3315/4885POLB 1905/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K GAA 3867/4885MAPT 3259/4885POLB 2282/4885

“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.