SCHEMBL194701

SCHEMBL194701

N#CC(C#N)CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.52
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
L3MBTL1 Q9Y468 5/20 0.44
MAPT P10636 1/20 0.44
PDPK1 O15530 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
RAB9A P51151 2/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL28221563 0.83 GSK3B (0.53) GSK3BKMT2ANPC1CES2CES1
SCHEMBL11155269 0.82 POLB (0.53) GSK3BKMT2APOLBERCC5FEN1
SCHEMBL194868 0.81 SMN1; SMN2 (0.50) KMT2AL3MBTL1MAPTNPC1ALDH1A1
SCHEMBL193893 0.81 ALDH1A1 (0.50) GSK3BKMT2APOLBL3MBTL1MAPT
SCHEMBL194154 0.81 TSHR (0.57) GSK3BKMT2APOLBERCC5FEN1
SCHEMBL2741303 0.81 KMO (0.59) TSHR
SCHEMBL8781599 0.81 POLB (0.51) GSK3BKMT2APOLBERCC5FEN1
SCHEMBL8781666 0.80 GSK3B (0.46) GSK3BKMT2APOLBERCC5FEN1
SCHEMBL28220957 0.79 HDAC3 (0.44) GSK3BRAB9ATSHR
SCHEMBL6203933 0.78 PDPK1 (0.56) GSK3BKMT2APOLBL3MBTL1MAPT

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 GSK3B 3783/4885KMT2A 2285/4885POLB 2493/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD GSK3B 3783/4885KMT2A 2285/4885POLB 2493/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD GSK3B 2471/4885KMT2A 4271/4885POLB 4291/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD GSK3B 3783/4885KMT2A 2285/4885POLB 2493/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD GSK3B 3783/4885KMT2A 2285/4885POLB 2493/4885
US-20180009746-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD GSK3B 3783/4885KMT2A 2285/4885POLB 2493/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 GSK3B 3001/4885KMT2A 3609/4885POLB 3947/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD GSK3B 3783/4885KMT2A 2285/4885POLB 2493/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD GSK3B 3783/4885KMT2A 2285/4885POLB 2493/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD GSK3B 3783/4885KMT2A 2285/4885POLB 2493/4885

“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.