SCHEMBL16050010

SCHEMBL16050010

COC(=O)c1cc(I)c(Br)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CNR2 P34972 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL731344 0.87 MAPT (0.53) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL401621 0.81 LMNA (0.56) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL13646593 0.81 CNR2 (0.49) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL21821414 0.81 MAPT (0.47) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL28534372 0.81 TPMT (0.53) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL731509 0.81 KDM4E (0.58) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL30808280 0.81 MAPT (0.47) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL3195430 0.80 MAPT (0.53) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL15970899 0.79 KDM4E (0.46) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL20763421 0.79 KMT2A (0.48) MAPTKDM4EALDH1A1CNR2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970120-B1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LTD (CN) 2018-09-12 EP disclosed
US-9701680-B2 Pyrimidine and pyridine compounds and their usage HUTCHISON MEDIPHARMA LIMITED (CN) 2017-07-11 US disclosed
US-9701680-B2 Pyrimidine and pyridine compounds and their usage HUTCHISON MEDIPHARMA LIMITED (CN) 2017-07-11 US disclosed
US-9701680-B2 Pyrimidine and pyridine compounds and their usage HUTCHISON MEDIPHARMA LIMITED (CN) 2017-07-11 US disclosed
US-20160052926-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2016-02-25 US disclosed
US-20160052926-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2016-02-25 US disclosed
US-20160052926-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2016-02-25 US disclosed
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2016-01-28 US disclosed
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2016-01-28 US disclosed
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2016-01-28 US disclosed
EP-2970120-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE Hutchison Medipharma Limited (CN) 2016-01-20 EP disclosed
WO-2014139145-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 WO disclosed
WO-2014139465-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 WO disclosed
WO-2014139145-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 WO disclosed
WO-2014139465-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 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-20160052926-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF FGFR3, FGFR1, FGFR4 MAPT 2978/4885KDM4E 1569/4885ALDH1A1 1724/4885
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE FGFR3, FGFR1, FGFR4 MAPT 2844/4885KDM4E 1548/4885ALDH1A1 1922/4885

“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.