SCHEMBL194415

SCHEMBL194415

N#CC(C#N)CC(=O)c1ccccc1F.N#Cc1c[nH]c(-c2ccccc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KAT6A Q92794 2/20 0.34
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
PTPRC P08575 1/20 0.33
MAPK14 Q16539 3/20 0.32
EEF2K O00418 1/20 0.31
DNTT P04053 1/20 0.31
CPB1 P15086 1/20 0.31

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
SCHEMBL29531094 0.79 PTPN1 (0.49) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL193719 0.79 GABRG2 (0.40) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL29519961 0.79 GABRG2 (0.40) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL194204 0.79 PTPN1 (0.49) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL15986159 0.79 NPC1 (0.34) ALDH1A1SMN1; SMN2NPC1RAB9AKAT6A
SCHEMBL193697 0.79 FFAR1 (0.33) ALDH1A1SMN1; SMN2NPC1RAB9AKAT6A
SCHEMBL23067647 0.76 POLB (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AKAT6A
SCHEMBL194599 0.72 PTPN1 (0.39) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL20952245 0.68 CHUK (0.36) ALDH1A1NPC1MEN1HPGDKMT2A
SCHEMBL29010873 0.67 PTPN1 (0.44) ALDH1A1SMN1; SMN2HTTNPC1RAB9A

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 18 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
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-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-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 (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 ALDH1A1 1184/4885SMN1; SMN2 3160/4885HTT 1076/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ALDH1A1 1184/4885SMN1; SMN2 3160/4885HTT 1076/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ALDH1A1 1184/4885SMN1; SMN2 3160/4885HTT 1076/4885
US-20180009746-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ALDH1A1 1184/4885SMN1; SMN2 3160/4885HTT 1076/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 ALDH1A1 467/4885SMN1; SMN2 2448/4885HTT 1067/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ALDH1A1 1184/4885SMN1; SMN2 3160/4885HTT 1076/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD ALDH1A1 1184/4885SMN1; SMN2 3160/4885HTT 1076/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ALDH1A1 1184/4885SMN1; SMN2 3160/4885HTT 1076/4885
US-10173977-B2 5-aryl-1H-pyrrole-3-carbonitrile and a pharmaceutical product using the same CYP3A5, CYP3A4, CBR3 ALDH1A1 467/4885SMN1; SMN2 2448/4885HTT 1067/4885

“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.