SCHEMBL194530

SCHEMBL194530

Cc1c(C#N)c[nH]c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MCL1 Q07820 2/20 0.45
KDM4E B2RXH2 2/20 0.45
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
GALR3 O60755 1/20 0.41
GAA P10253 1/20 0.41
MDM2 Q00987 1/20 0.41
CHUK O15111 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GRM6 O15303 1/20 0.40
DYRK1A Q13627 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9225793 0.79 LRRK2 (0.47) LRRK2ALDH1A1HPGDMCL1KDM4E
SCHEMBL193826 0.79 LRRK2 (0.47) LRRK2ALDH1A1HPGDMCL1KDM4E
SCHEMBL12670780 0.74 CHUK (0.47) LRRK2ALDH1A1HPGDMCL1KDM4E
SCHEMBL13922078 0.74 ATM (0.40) ALDH1A1HPGDKDM4EGAAMDM2
SCHEMBL1780240 0.72 MCL1 (0.46) LRRK2ALDH1A1HPGDMCL1KDM4E
SCHEMBL28140520 0.71 MAPT (0.40) ALDH1A1HPGDKDM4EGAATSHR
SCHEMBL21596508 0.71
SCHEMBL9224240 0.70 KDM4E (0.49) ALDH1A1HPGDMCL1KDM4EGALR3
SCHEMBL20739844 0.68 ALDH1A1 (0.51) ALDH1A1HPGDMCL1KDM4EGALR3
SCHEMBL2186551 0.67 TSHR (0.45) ALDH1A1HPGDKDM4EGALR3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-08 US disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 US disclosed
US-11498898-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-11-15 US disclosed
CN-114835619-A Process for preparing azole compounds 武田药品工业株式会社 2022-08-02 CN 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
CN-105524046-A Process for producing pyrrole compound TAKEDA PHARMACEUTICAL 2016-04-27 CN disclosed
US-9266831-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-23 US disclosed
CN-102421753-B Process for preparing azole compounds TAKEDA PHARMACEUTICAL 2014-12-31 CN disclosed
CN-104211618-A Process for producing pyrrole compound TAKEDA PHARMACEUTICAL 2014-12-17 CN 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
CN-102421753-A Process for preparing azole compounds TAKEDA PHARMACEUTICAL 2012-04-18 CN 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 LRRK2 3039/4885ALDH1A1 1184/4885HPGD 872/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD LRRK2 3039/4885ALDH1A1 1184/4885HPGD 872/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD LRRK2 4344/4885ALDH1A1 1045/4885HPGD 851/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD LRRK2 3039/4885ALDH1A1 1184/4885HPGD 872/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD LRRK2 3039/4885ALDH1A1 1184/4885HPGD 872/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 LRRK2 3457/4885ALDH1A1 467/4885HPGD 981/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD LRRK2 3039/4885ALDH1A1 1184/4885HPGD 872/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD LRRK2 3039/4885ALDH1A1 1184/4885HPGD 872/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD LRRK2 3039/4885ALDH1A1 1184/4885HPGD 872/4885

“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.