SCHEMBL193826

SCHEMBL193826

N#Cc1c[nH]c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.47
MCL1 Q07820 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
MDM2 Q00987 2/20 0.42
CHUK O15111 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
DYRK1A Q13627 3/20 0.41
MET P08581 1/20 0.39
GRM5 P41594 2/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
ROCK2 O75116 1/20 0.38
CHEK2 O96017 1/20 0.38
INSR P06213 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 0.81 LRRK2 (0.47) LRRK2MCL1KDM4EALDH1A1HPGD
SCHEMBL30244 0.79 MCL1 (0.45) LRRK2MCL1KDM4EALDH1A1HPGD
SCHEMBL30221 0.79 MCL1 (0.45) LRRK2MCL1KDM4EALDH1A1HPGD
SCHEMBL194530 0.79 LRRK2 (0.46) LRRK2MCL1KDM4EALDH1A1HPGD
SCHEMBL12670780 0.79 CHUK (0.47) LRRK2MCL1KDM4EALDH1A1HPGD
SCHEMBL21596735 0.77 AR (0.36) LRRK2MCL1ALDH1A1HPGDMDM2
SCHEMBL9023323 0.75 MCL1 (0.41) LRRK2MCL1KDM4EALDH1A1HPGD
SCHEMBL31443035 0.74 MCL1 (0.55) LRRK2MCL1KDM4EALDH1A1HPGD
SCHEMBL1780240 0.74 MCL1 (0.46) LRRK2MCL1KDM4EALDH1A1HPGD
SCHEMBL28856326 0.71 ESR1 (0.42) KDM4EALDH1A1HPGDMDM2DYRK1A

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 21 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
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 (10 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 3039/4885MCL1 3962/4885KDM4E 222/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD LRRK2 3039/4885MCL1 3962/4885KDM4E 222/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD LRRK2 4344/4885MCL1 4427/4885KDM4E 807/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD LRRK2 3039/4885MCL1 3962/4885KDM4E 222/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD LRRK2 3039/4885MCL1 3962/4885KDM4E 222/4885
US-20180009746-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD LRRK2 3039/4885MCL1 3962/4885KDM4E 222/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 LRRK2 3457/4885MCL1 4383/4885KDM4E 420/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD LRRK2 3039/4885MCL1 3962/4885KDM4E 222/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD LRRK2 3039/4885MCL1 3962/4885KDM4E 222/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD LRRK2 3039/4885MCL1 3962/4885KDM4E 222/4885

“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.