SCHEMBL868798

SCHEMBL868798

Cn1cc([N+](=O)[O-])nc1CCl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SOS1 Q07889 1/20 0.40
KMT2A Q03164 3/20 0.37
MITF O75030 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL18786131 0.84 ALDH1A1 (0.50) ALDH1A1SOS1KMT2AMITFKDM4E
SCHEMBL869168 0.82 ALDH1A1 (0.45) ALDH1A1SOS1KMT2AMITFKDM4E
SCHEMBL8276768 0.82 ALDH1A1 (0.45) ALDH1A1SOS1KMT2AMITFKDM4E
SCHEMBL5035092 0.82 ALDH1A1 (0.45) ALDH1A1SOS1KMT2AMITFKDM4E
SCHEMBL27849201 0.79 ALDH1A1 (0.42) ALDH1A1SOS1KMT2AMITFKDM4E
SCHEMBL19674728 0.76 ALDH1A1 (0.44) ALDH1A1SOS1KMT2AMITFKDM4E
SCHEMBL14388774 0.74 MITF (0.43) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL11864264 0.74 MITF (0.43) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL11377647 0.73 MITF (0.39) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL27996346 0.73 ALDH1A1 (0.38) ALDH1A1SOS1KMT2AMITFPKM

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 ALDH1A1 3257/4885SOS1 3813/4885KMT2A 1235/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ALDH1A1 3205/4885SOS1 3909/4885KMT2A 1810/4885

“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.