SCHEMBL1013695

SCHEMBL1013695

NC(=O)c1cc(Cl)cnc1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.47
MAP4K4 O95819 3/20 0.46
NNMT P40261 1/20 0.42
IKBKB O14920 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
PLAU P00749 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
TSHR P16473 1/20 0.38
IDO1 P14902 1/20 0.38
CASP1 P29466 1/20 0.38
CHEK2 O96017 1/20 0.37
FYN P06241 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
SCHEMBL11555230 0.84 MAP4K4 (0.40) MAP4K4ALDH1A1PLAUIDO1
SCHEMBL1319218 0.84 CYP3A4 (0.50) MAP4K4KDM4EALDH1A1TSHRCASP1
SCHEMBL915037 0.82 CYP3A4 (0.48) MAP4K4KDM4EALDH1A1TSHRCASP1
SCHEMBL31382687 0.82 SCN9A (0.39) PIK3CBMAP4K4KDM4EIDO1
SCHEMBL4869343 0.82 SCN9A (0.39) PIK3CBMAP4K4KDM4EIDO1
Hydrochloric Acid SCHEMBL11549048 0.82 CYP3A4 (0.48) MAP4K4KDM4EALDH1A1TSHRCASP1
SCHEMBL4016084 0.82 CASP1 (0.46) MAP4K4NNMTKDM4EALDH1A1GLA
SCHEMBL30370236 0.82 CASP1 (0.46) MAP4K4NNMTKDM4EALDH1A1GLA
Lithium Ion SCHEMBL915036 0.81 MAP4K4 (0.38) MAP4K4KDM4EPLAUIDO1
SCHEMBL24405931 0.79 SLC9A1 (0.39) MAP4K4PLAUIDO1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3461825-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2019-04-03 EP disclosed
EP-2760865-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RES LAB (KR) 2018-07-11 EP disclosed
CN-103889986-B Novel heterocyclic derivatives and their use C&C新药研究所 2017-07-21 CN disclosed
WO-2017039331-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-03-09 WO disclosed
US-9586959-B2 Substituted tricyclic heterocycles as histamine 4 receptor inhibitors C&C RESEARCH LABORATORIES (KR) 2017-03-07 US disclosed
EP-2271624-B9 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 US disclosed
EP-2760865-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2014-08-06 EP disclosed
CN-103889986-A Novel heterocyclic derivatives and their use C & C RES LAB 2014-06-25 CN disclosed
EP-2271624-B1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP 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-20100016315-A1 Iminopyridine Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US 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
EP-2077262-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-08 EP 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 (7 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-20100016315-A1 Iminopyridine Derivative and Use Thereof ADRA1D, ADRB1, ADRB2 PIK3CB 4124/4885MAP4K4 1859/4885NNMT 888/4885
US-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 PIK3CB 4024/4885MAP4K4 1465/4885NNMT 848/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 PIK3CB 4024/4885MAP4K4 1465/4885NNMT 848/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 PIK3CB 4024/4885MAP4K4 1465/4885NNMT 848/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 PIK3CB 4024/4885MAP4K4 1465/4885NNMT 848/4885
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES HRH4, HRH2, HRH1 PIK3CB 2140/4885MAP4K4 475/4885NNMT 3828/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 PIK3CB 4024/4885MAP4K4 1465/4885NNMT 848/4885

“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.