SCHEMBL10108152

SCHEMBL10108152

Cn1cc([N+](=O)[O-])nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SOS1 Q07889 1/20 0.37
POLB P06746 1/20 0.35
KCNH2 Q12809 4/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MITF O75030 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM1 P11229 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
SCHEMBL3282371 0.76 ALDH1A1 (0.44) ALDH1A1SOS1POLBKDM4EGAA
SCHEMBL5353581 0.73 MITF (0.46) ALDH1A1SOS1POLBKDM4EGAA
SCHEMBL63286 0.73 ALDH1A1 (0.59) ALDH1A1SOS1POLBKDM4EGAA
SCHEMBL19674728 0.72 ALDH1A1 (0.44) ALDH1A1SOS1POLBKDM4EGAA
SCHEMBL15686430 0.69 ALDH1A1 (0.42) ALDH1A1SOS1KDM4EGAAMITF
SCHEMBL18776142 0.69 ALDH1A1 (0.42) ALDH1A1SOS1POLBKDM4EGAA
SCHEMBL18786131 0.69 ALDH1A1 (0.50) ALDH1A1SOS1POLBKDM4EGAA
SCHEMBL5331712 0.69 ALDH1A1 (0.42) ALDH1A1SOS1POLBKDM4EGAA
SCHEMBL10747319 0.69 ALDH1A1 (0.42) ALDH1A1SOS1POLBKDM4EGAA
SCHEMBL20320630 0.69 HTT (0.38) LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3813/4885POLB 1905/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ALDH1A1 3205/4885SOS1 3909/4885POLB 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.