SCHEMBL2060752

SCHEMBL2060752

CCCS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
VCAM1 P19320 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
TXNRD1 Q16881 6/20 0.40
GSR P00390 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 1/20 0.39
HSPB1 P04792 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
AR P10275 1/20 0.38
PKM P14618 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL2061149 0.79 MAPT (0.53) VCAM1MEN1KMT2ALMNATXNRD1
SCHEMBL20150270 0.79 ATM (0.61) ATMTDP1VCAM1MEN1KMT2A
SCHEMBL6367042 0.78 KMT2A (0.59) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL1668292 0.76 ATM (0.58) ATMTDP1VCAM1MEN1KMT2A
SCHEMBL1670193 0.76 ATM (0.61) ATMTDP1VCAM1MEN1KMT2A
SCHEMBL1668045 0.76 ATM (0.61) ATMTDP1VCAM1MEN1KMT2A
SCHEMBL11973894 0.76 TDP1 (0.61) ATMTDP1VCAM1MEN1KMT2A
SCHEMBL6852162 0.75 ATM (0.45) ATMTDP1LMNAALDH1A1MAPT
SCHEMBL2060749 0.75 ATM (0.56) ATMTDP1VCAM1MEN1KMT2A
SCHEMBL1368484 0.74 TSHR (0.51) TDP1MEN1KMT2ARAB9AALDH1A1

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
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET ATM 1102/4885TDP1 1885/4885VCAM1 2917/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ATM 1102/4885TDP1 1885/4885VCAM1 2917/4885

“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.