SCHEMBL194852

SCHEMBL194852

Cc1ccccc1-c1cc(C#N)c(-c2ccccc2C#N)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
AR P10275 2/20 0.42
CDC7 O00311 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
LRRK2 Q5S007 1/20 0.40
GAA P10253 2/20 0.38
GALR3 O60755 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 1/20 0.37
CYP19A1 P11511 1/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL194993 0.80 CDC7 (0.39) TSHRCDC7KDM4EKMT2ALRRK2
SCHEMBL193547 0.79 AR (0.44) TSHRARCDC7KDM4ELRRK2
SCHEMBL10278516 0.78 AR (0.43) TSHRARKDM4EKMT2ALRRK2
SCHEMBL1472952 0.77 TSHR (0.67) TSHRARKDM4ELRRK2GAA
SCHEMBL27349760 0.74 AR (0.52) TSHRARLRRK2
SCHEMBL20405268 0.72 ESR2 (0.63) TSHRARKDM4EMAPK1LRRK2
SCHEMBL15536685 0.70 TSHR (0.61) TSHRARKMT2ALRRK2ESR2
SCHEMBL1132593 0.70 TSHR (0.61) TSHRARKDM4EKMT2ALRRK2
SCHEMBL1133478 0.69 TSHR (0.50) TSHRARKDM4ELRRK2GAA
SCHEMBL29993589 0.69 TSHR (0.50) TSHRARKDM4ELRRK2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 US disclosed
EP-3929187-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-12-29 EP disclosed
US-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-10844011-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-24 US disclosed
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-04-16 US disclosed
EP-3613734-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-02-26 EP disclosed
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME TAKEDA PHARMACEUTICALS CO (JP) 2019-05-02 US disclosed
US-10173977-B2 5-aryl-1H-pyrrole-3-carbonitrile and a pharmaceutical product using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-08 US disclosed
US-20180009746-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-01-11 US disclosed
EP-3241826-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-11-08 EP disclosed
EP-2765130-B1 Intermediates for use in a process of producing pyrrole compounds TAKEDA PHARMACEUTICALS CO (JP) 2017-07-26 EP disclosed
EP-2402313-B1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-08-24 EP disclosed
US-9266831-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-23 US disclosed
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-10-09 US disclosed
US-8822694-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
EP-2765130-A2 Process for producing pyrrole compound Takeda Pharmaceutical Company Limited (JP) 2014-08-13 EP disclosed
EP-2402313-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-01-04 EP disclosed
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-15 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 (9 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-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD TSHR 1513/4885AR 4253/4885CDC7 3684/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD TSHR 1513/4885AR 4253/4885CDC7 3684/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD TSHR 1513/4885AR 4253/4885CDC7 3684/4885
US-20180009746-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD TSHR 1513/4885AR 4253/4885CDC7 3684/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 TSHR 1615/4885AR 3463/4885CDC7 3981/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD TSHR 1513/4885AR 4253/4885CDC7 3684/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD TSHR 1513/4885AR 4253/4885CDC7 3684/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD TSHR 1513/4885AR 4253/4885CDC7 3684/4885
US-10173977-B2 5-aryl-1H-pyrrole-3-carbonitrile and a pharmaceutical product using the same CYP3A5, CYP3A4, CBR3 TSHR 1615/4885AR 3463/4885CDC7 3981/4885

“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.