SCHEMBL10108154

SCHEMBL10108154

Cc1c([N+](=O)[O-])nc(C(F)(F)F)n1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 7/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
S1PR4 O95977 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
GRK5 P34947 1/20 0.31
LIMK1 P53667 1/20 0.31
PKM P14618 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
SCHEMBL13190833 0.80
SCHEMBL10108153 0.80 MAPT (0.32) GAAS1PR4
SCHEMBL10108155 0.80 KDM4E (0.33) KDM4EALDH1A1KMT2A
SCHEMBL10108151 0.80 ATM (0.33) ALDH1A1ATMKMT2AMEN1HTT
SCHEMBL64091 0.78 ALDH1A1 (0.42) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL10108278 0.78 GAA (0.35) KDM4EALDH1A1L3MBTL1GAAKMT2A
SCHEMBL10102759 0.74 KDM4E (0.43) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL10102727 0.74 MAPT (0.36) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL11965415 0.72 KDM4E (0.33) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL16882296 0.72 ALDH1A1 (0.35) KDM4EALDH1A1L3MBTL1ATMGAA

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 3 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-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

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 KDM4E 724/4885ALDH1A1 3257/4885L3MBTL1 2016/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K KDM4E 667/4885ALDH1A1 3205/4885L3MBTL1 2048/4885

“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.