SCHEMBL194994

SCHEMBL194994

Cc1ccccc1C(=O)CC(C#N)C=N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
CTNNB1 P35222 4/20 0.38
WNT3A P56704 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
PIK3CD O00329 1/20 0.37
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
DHODH Q02127 1/20 0.35
ELANE P08246 1/20 0.34

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
SCHEMBL29815997 1.00 ERCC5 (0.43) ERCC5FEN1CTNNB1WNT3AKMT2A
SCHEMBL27864902 0.82 PTPN1 (0.43) ERCC5FEN1CTNNB1WNT3AKMT2A
SCHEMBL27864912 0.80 CTSC (0.33)
SCHEMBL29815743 0.80 ERCC5 (0.49) ERCC5FEN1CTNNB1WNT3AKMT2A
SCHEMBL193821 0.80 ERCC5 (0.49) ERCC5FEN1CTNNB1WNT3AKMT2A
SCHEMBL194430 0.78 TSHR (0.49) ERCC5FEN1KMT2AMEN1ALDH1A1
SCHEMBL194599 0.78 PTPN1 (0.39) ERCC5FEN1CTNNB1WNT3AKMT2A
SCHEMBL194294 0.76 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL1156376 0.72 MEN1 (0.47) ERCC5FEN1CTNNB1WNT3AKMT2A
SCHEMBL1156101 0.72 ERCC5 (0.45) ERCC5FEN1CTNNB1WNT3AKMT2A

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 ERCC5 4616/4885FEN1 2724/4885CTNNB1 4856/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ERCC5 4616/4885FEN1 2724/4885CTNNB1 4856/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD ERCC5 4793/4885FEN1 3744/4885CTNNB1 4504/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ERCC5 4616/4885FEN1 2724/4885CTNNB1 4856/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD ERCC5 4616/4885FEN1 2724/4885CTNNB1 4856/4885
US-20180009746-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ERCC5 4616/4885FEN1 2724/4885CTNNB1 4856/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 ERCC5 4566/4885FEN1 3612/4885CTNNB1 4373/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ERCC5 4616/4885FEN1 2724/4885CTNNB1 4856/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD ERCC5 4616/4885FEN1 2724/4885CTNNB1 4856/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ERCC5 4616/4885FEN1 2724/4885CTNNB1 4856/4885

“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.