SCHEMBL1019310

SCHEMBL1019310

CN(C)C(=O)Nc1ccc(Cl)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
APAF1 O14727 1/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
GAA P10253 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
USP30 Q70CQ3 1/20 0.44
GLA P06280 1/20 0.43
APEX1 P27695 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
SCHEMBL6177644 0.83 KDM4E (0.57) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL4293229 0.81 KDM4E (0.48) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL404789 0.80 HPGD (0.47) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL1015889 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL4030047 0.79 RAB9A (0.64) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL1016756 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL11801105 0.78 MAPK1 (0.56) ALDH1A1MAPTTSHRHTTMEN1
SCHEMBL11135310 0.78 TSHR (0.56) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL4767565 0.78 L3MBTL1 (0.58) ALDH1A1KDM4EHPGDTSHRLMNA
SCHEMBL10815696 0.77 RECQL (0.57) ALDH1A1KDM4EMAPTHTTLMNA

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 17 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-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-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES 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
US-20110124874-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
US-4713383-A ADENOSINE AND BENZODIAZEPINE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1987-12-15 US 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 ALDH1A1 33/4885KDM4E 3069/4885MAPT 1926/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885KDM4E 3069/4885MAPT 1926/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885KDM4E 3437/4885MAPT 2105/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885KDM4E 3069/4885MAPT 1926/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885KDM4E 3069/4885MAPT 1926/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885KDM4E 3069/4885MAPT 1926/4885

“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.