SCHEMBL1725824

SCHEMBL1725824

N/C(=N\O)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.38
FLT3 P36888 2/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PLAU P00749 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1725825 1.00 TDP1 (0.38) TDP1FLT3KMT2AALDH1A1MEN1
SCHEMBL1727321 0.83 RECQL (0.34) FLT3KDM4ERAB9APLAUL3MBTL1
SCHEMBL13187351 0.83 FLT3 (0.42) FLT3KDM4ERAB9APLAUL3MBTL1
SCHEMBL15891095 0.83 FLT3 (0.42) FLT3KDM4ERAB9APLAUL3MBTL1
SCHEMBL1727323 0.83 RECQL (0.34) FLT3KDM4ERAB9APLAUL3MBTL1
SCHEMBL13187144 0.81 KDM1A (0.36) TDP1FLT3KDM4ENPC1RAB9A
SCHEMBL15891072 0.81 KDM1A (0.36) TDP1FLT3KDM4ENPC1RAB9A
SCHEMBL16000800 0.80 TDP1 (0.36) TDP1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6719240 0.78 KMT2A (0.38) TDP1KMT2AALDH1A1MEN1KDM4E
SCHEMBL6719236 0.78 KMT2A (0.38) TDP1KMT2AALDH1A1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709609-B1 HETEROCYCLIC COMPOUNDS SHIONOGI & CO (JP) 2017-10-04 EP disclosed
EP-2709609-B1 HETEROCYCLIC COMPOUNDS SHIONOGI & CO (JP) 2017-10-04 EP disclosed
US-9156830-B2 Heterocyclic compounds SHIONOGI & CO., LTD. (JP) 2015-10-13 US disclosed
US-9156830-B2 Heterocyclic compounds SHIONOGI & CO., LTD. (JP) 2015-10-13 US disclosed
US-9156830-B2 Heterocyclic compounds SHIONOGI & CO., LTD. (JP) 2015-10-13 US disclosed
US-20140249159-A1 HETEROCYCLIC COMPOUNDS PURDUE PHARMA L.P. 2014-09-04 US disclosed
US-20140249159-A1 HETEROCYCLIC COMPOUNDS PURDUE PHARMA L.P. 2014-09-04 US disclosed
US-20140249159-A1 HETEROCYCLIC COMPOUNDS PURDUE PHARMA L.P. 2014-09-04 US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
WO-2012158844-A1 HETEROCYCLIC COMPOUNDS SHIONOGI & CO., LTD. (JP) 2012-11-22 WO disclosed
EP-2403849-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS Merck Serono S.A. (CH) 2012-01-11 EP disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
WO-2010100142-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO S.A. (CH) 2010-09-10 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 (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-20140249159-A1 HETEROCYCLIC COMPOUNDS HRH2, UGT1A3, UGT1A1 TDP1 4608/4885FLT3 4740/4885KMT2A 3048/4885
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 TDP1 2717/4885FLT3 734/4885KMT2A 3880/4885

“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.