SCHEMBL10108151

SCHEMBL10108151

Cn1c(C(F)(F)F)nc([N+](=O)[O-])c1CO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
DCTPP1 Q9H773 1/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 2/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
F2R P25116 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL13190833 0.84
SCHEMBL10108153 0.84 MAPT (0.32) MAPT
SCHEMBL10108155 0.84 KDM4E (0.33) KMT2AALDH1A1
SCHEMBL10108154 0.80 KDM4E (0.34) ATMKMT2AMEN1HTTSMN1; SMN2
SCHEMBL10102740 0.77 ALDH1A1 (0.44) ATMKMT2AHTTLMNAMAPT
SCHEMBL10102722 0.76 MAPT (0.36) ATMKMT2AMEN1HTTLMNA
SCHEMBL10102780 0.74 ALDH1A1 (0.39) ATMKMT2AMEN1HTTLMNA
SCHEMBL10102723 0.73 ATM (0.33) ATMKMT2AMEN1LMNAMAPT
SCHEMBL16882295 0.72 KMT2A (0.37) ATMKMT2AMEN1HTTLMNA
SCHEMBL10102719 0.72 ATM (0.33) ATMKMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 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-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 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-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 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-2011028135-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-10 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 (4 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 ATM 498/4885DCTPP1 2499/4885KMT2A 1235/4885
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, ERBB3 ATM 362/4885DCTPP1 3864/4885KMT2A 810/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ATM 532/4885DCTPP1 2643/4885KMT2A 1810/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 ATM 340/4885DCTPP1 3802/4885KMT2A 744/4885

“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.