SCHEMBL10102691

SCHEMBL10102691

Cn1cnc([N+](=O)[O-])c1CCl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 7/20 0.54
GAA P10253 3/20 0.53
MAPT P10636 7/20 0.53
HTT P42858 4/20 0.53
LMNA P02545 4/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ATM Q13315 1/20 0.49
CYP2C19 P33261 2/20 0.48
RAB9A P51151 1/20 0.47
NLRP1 Q9C000 1/20 0.47
HPGD P15428 1/20 0.45
GFER P55789 2/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL13001465 0.84 ALDH1A1 (0.60) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL7557473 0.82 ATM (0.56) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL868820 0.82 KDM4E (0.56) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL14696790 0.82 KDM4E (0.47) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL19125013 0.81 KDM4E (0.54) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL31466953 0.79 GAA (0.58) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL13190830 0.79 KDM4E (0.53) KDM4EALDH1A1GAAMAPTHTT
Bromide SCHEMBL31316350 0.78 GAA (0.57) KDM4EALDH1A1GAAMAPTHTT
Hydrochloric Acid SCHEMBL7560556 0.78 KDM4E (0.48) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL14713556 0.77 KDM4E (0.43) KDM4EALDH1A1GAAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230063457-A1 DNA-PK INHIBITING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-03-02 US 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-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
WO-2010104406-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-16 WO disclosed
WO-2008151253-A1 HYPOXIA ACTIVATED PRODRUGS OF ANTINEOPLASTIC AGENTS THRESHOLD PHARMACEUTICALS, INC. (US) 2008-12-11 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 (3 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 3257/4885GAA 3805/4885
US-20230063457-A1 DNA-PK INHIBITING COMPOUNDS DCK, POLK, ERCC2 KDM4E 760/4885ALDH1A1 2447/4885GAA 484/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K KDM4E 667/4885ALDH1A1 3205/4885GAA 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.