SCHEMBL1017374

SCHEMBL1017374

CC(=O)NCc1cc(F)ccc1S(=O)(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.46
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
NOTUM Q6P988 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 2/20 0.39
EPAS1 Q99814 1/20 0.38
KMT2A Q03164 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
SCHEMBL1017586 0.85 PTGS2 (0.48) DDR1MTNR1AMTNR1BNOTUMPTGS2
SCHEMBL1014041 0.84 DDR1 (0.54) DDR1PTGS2
SCHEMBL13740939 0.83 DDR1 (0.47) DDR1
SCHEMBL16099303 0.82 SETDB1 (0.51) DDR1MTNR1AMTNR1BPTGS2
SCHEMBL1017629 0.79 BRD4 (0.44) DDR1CYP2D6PKMCYP2C19KMT2A
SCHEMBL3447629 0.78 SETDB1 (0.47) MTNR1AMTNR1BKMT2A
SCHEMBL4329523 0.78 CNR1 (0.45) MTNR1AMTNR1BNOTUM
SCHEMBL2808716 0.77 KDM4E (0.41) DDR1KMT2A
SCHEMBL13832719 0.77 TRPV4 (0.40) DDR1CYP2C19KMT2A
SCHEMBL15626809 0.77 RIPK1 (0.48) DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271624-B9 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-2271624-B1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
US-8481569-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-09 US disclosed
US-7985863-B2 Iminopyridine derivatives and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7985862-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7982044-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-19 US disclosed
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 US disclosed
US-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 US disclosed
EP-2271624-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009131245-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 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 (6 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-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 DDR1 1217/4885MTNR1A 14/4885MTNR1B 16/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 DDR1 1217/4885MTNR1A 14/4885MTNR1B 16/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 DDR1 1285/4885MTNR1A 16/4885MTNR1B 15/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 DDR1 1217/4885MTNR1A 14/4885MTNR1B 16/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 DDR1 1217/4885MTNR1A 14/4885MTNR1B 16/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 DDR1 1217/4885MTNR1A 14/4885MTNR1B 16/4885

“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.