SCHEMBL1017712

SCHEMBL1017712

CC(C)Sc1ccc(Cl)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
CYP2D6 P10635 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
XDH P47989 1/20 0.43
AR P10275 2/20 0.41
NOS2 P35228 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
USP7 Q93009 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CYP2A6 P11509 1/20 0.38
VCAM1 P19320 1/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL1017722 0.79 MEN1 (0.47) KDM4ECYP2D6KMT2AMAPTMEN1
SCHEMBL1017624 0.76 KDM4E (0.45) KDM4ECYP2D6KMT2AMAPTMEN1
SCHEMBL31510170 0.74 AR (0.46) KDM4EKMT2AMAPTMEN1CYP1A2
SCHEMBL2657473 0.73 CYP1A2 (0.48) MAPTCYP1A2CYP3A4HPGDCYP2C19
SCHEMBL15357992 0.72 AR (0.44) KDM4ECYP2D6KMT2AMAPTMEN1
SCHEMBL2534745 0.72 VCAM1 (0.54) KMT2AMAPTMEN1XDHAR
SCHEMBL8232346 0.72 LMNA (0.42) KDM4ECYP2D6MAPTNOS2SLC6A2
SCHEMBL18035387 0.72 ALDH1A1 (0.47) KDM4ECYP2D6KMT2AMAPTMEN1
SCHEMBL23613818 0.70 KDM4E (0.40) KDM4ECYP2D6KMT2AMAPTMEN1
SCHEMBL11896187 0.69 CYP3A4 (0.48) CYP2D6KMT2AMAPTMEN1CYP3A4

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 16 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
CN-102066327-B Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL 2013-05-29 CN disclosed
US-7985862-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7985863-B2 Iminopyridine derivatives and uses 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-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-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
CN-102066327-A Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL 2011-05-18 CN 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 KDM4E 3069/4885CYP2D6 477/4885KMT2A 2082/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 KDM4E 3069/4885CYP2D6 477/4885KMT2A 2082/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 KDM4E 3437/4885CYP2D6 535/4885KMT2A 2344/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 KDM4E 3069/4885CYP2D6 477/4885KMT2A 2082/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 KDM4E 3069/4885CYP2D6 477/4885KMT2A 2082/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 KDM4E 3069/4885CYP2D6 477/4885KMT2A 2082/4885

“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.