SCHEMBL162558

SCHEMBL162558

COC(=O)c1cccnc1[O]

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
MAP2K1 Q02750 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 5/20 0.53
POLB P06746 2/20 0.52
ATM Q13315 1/20 0.52
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
CFTR P13569 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CNR2 P34972 1/20 0.48
MEN1 O00255 1/20 0.48
PSMD14 O00487 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL812065 0.82 KDM4E (0.59) TDP1MAP2K1L3MBTL1KDM4EPOLB
SCHEMBL27819878 0.81 P2RX7 (0.66) TDP1MAP2K1L3MBTL1KDM4EPOLB
SCHEMBL29416324 0.81 L3MBTL1 (0.62) TDP1MAP2K1L3MBTL1KDM4EPOLB
SCHEMBL31185958 0.81 KDM4E (0.57) TDP1MAP2K1L3MBTL1KDM4EPOLB
SCHEMBL1248162 0.81 P2RX7 (0.66) TDP1MAP2K1L3MBTL1KDM4EPOLB
SCHEMBL107721 0.81 KDM4E (0.57) TDP1MAP2K1L3MBTL1KDM4EPOLB
SCHEMBL69990 0.81 L3MBTL1 (0.62) TDP1MAP2K1L3MBTL1KDM4EPOLB
SCHEMBL162019 0.80 TSHR (0.61) L3MBTL1KDM4EPOLBTSHRALDH1A1
SCHEMBL163493 0.80 POLB (0.45) TDP1MAP2K1L3MBTL1KDM4EPOLB
SCHEMBL160054 0.80 MAPT (0.50) L3MBTL1KDM4EPOLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO disclosed
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 TDP1 56/4885MAP2K1 4224/4885L3MBTL1 1654/4885
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK TDP1 3320/4885MAP2K1 271/4885L3MBTL1 4584/4885

“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.