SCHEMBL10102752

SCHEMBL10102752

Cn1c(CC#N)nc([N+](=O)[O-])c1CBr

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.33
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 8/20 0.33
GAA P10253 1/20 0.33
HTT P42858 4/20 0.32
LMNA P02545 2/20 0.32
JAK2 O60674 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
POLB P06746 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
SCHEMBL10102747 0.85 ALDH1A1 (0.36) KMT2AALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL10102781 0.81 MAPT (0.39) KMT2AALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL11903308 0.79 KMT2A (0.34) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL10102750 0.79 KMT2A (0.41) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL867642 0.78 KMT2A (0.41) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL10102761 0.76 KDM4E (0.39) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL10102725 0.74 GAA (0.34) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL867643 0.74 GAA (0.35) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL10102720 0.73 MAPT (0.32) MAPTGAA
SCHEMBL11867488 0.73 KMT2A (0.34) KMT2AALDH1A1SMN1; SMN2MAPTHTT

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 1235/4885ALDH1A1 3257/4885SMN1; SMN2 4190/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K KMT2A 1810/4885ALDH1A1 3205/4885SMN1; SMN2 4140/4885

“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.