SCHEMBL194599

SCHEMBL194599

N#CC(C#N)CC(=O)c1ccccc1F.N#CC(C=N)CC(=O)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL27864902 0.95 PTPN1 (0.43) PTPN1ERCC5FEN1MEN1HPGD
SCHEMBL194204 0.87 PTPN1 (0.49) PTPN1ERCC5FEN1MEN1HPGD
SCHEMBL29531094 0.87 PTPN1 (0.49) PTPN1ERCC5FEN1MEN1HPGD
SCHEMBL29010873 0.82 PTPN1 (0.44) PTPN1ERCC5FEN1MEN1HPGD
SCHEMBL29815997 0.78 ERCC5 (0.43) ERCC5FEN1MEN1HPGDKMT2A
SCHEMBL194994 0.78 ERCC5 (0.43) ERCC5FEN1MEN1HPGDKMT2A
SCHEMBL27864912 0.76 CTSC (0.33) SMN1; SMN2KDM4E
SCHEMBL194430 0.74 TSHR (0.49) PTPN1ERCC5FEN1MEN1HPGD
SCHEMBL30833010 0.73 PTPN1 (0.46) PTPN1ERCC5FEN1MEN1HPGD
SCHEMBL194415 0.72 ALDH1A1 (0.35) PTPN1ERCC5FEN1MEN1HPGD

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 15 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
CN-114835619-A Process for preparing azole compounds 武田药品工业株式会社 2022-08-02 CN 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
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-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-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 PTPN1 2960/4885ERCC5 4616/4885FEN1 2724/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD PTPN1 2960/4885ERCC5 4616/4885FEN1 2724/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD PTPN1 2960/4885ERCC5 4616/4885FEN1 2724/4885
US-20180009746-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD PTPN1 2960/4885ERCC5 4616/4885FEN1 2724/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 PTPN1 1993/4885ERCC5 4566/4885FEN1 3612/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD PTPN1 2960/4885ERCC5 4616/4885FEN1 2724/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD PTPN1 2960/4885ERCC5 4616/4885FEN1 2724/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD PTPN1 2960/4885ERCC5 4616/4885FEN1 2724/4885
US-10173977-B2 5-aryl-1H-pyrrole-3-carbonitrile and a pharmaceutical product using the same CYP3A5, CYP3A4, CBR3 PTPN1 1993/4885ERCC5 4566/4885FEN1 3612/4885

“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.