SCHEMBL2741740

SCHEMBL2741740

CSc1[nH]c(C(C)(C)C)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL194908 0.80 KDM4E (0.42) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL194725 0.68 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL194128 0.66 AXL (0.45) KDM4EHSD17B10ALDH1A1GAAKMT2A
SCHEMBL13182042 0.66 PTGES (0.43) KDM4EHSD17B10ALDH1A1GAAMEN1
SCHEMBL194064 0.64 KDM4E (0.41) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL15996314 0.64 AR (0.48) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL10278516 0.64 AR (0.43) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL12755314 0.63 NR3C1 (0.39) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL13365184 0.63 KDM4E (0.36) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL13334392 0.63 KDM4E (0.36) KDM4EHSD17B10ALDH1A1GAAHPGD

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 23 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-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
US-9266831-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-23 US 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-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
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
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-15 US disclosed
WO-2010098351-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND 武田薬品工業株式会社 (JP) 2010-09-02 WO 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 KDM4E 222/4885HSD17B10 1475/4885ALDH1A1 1184/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD KDM4E 807/4885HSD17B10 98/4885ALDH1A1 1045/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD KDM4E 222/4885HSD17B10 1475/4885ALDH1A1 1184/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD KDM4E 222/4885HSD17B10 1475/4885ALDH1A1 1184/4885
US-20180009746-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD KDM4E 222/4885HSD17B10 1475/4885ALDH1A1 1184/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 KDM4E 420/4885HSD17B10 1220/4885ALDH1A1 467/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD KDM4E 222/4885HSD17B10 1475/4885ALDH1A1 1184/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD KDM4E 222/4885HSD17B10 1475/4885ALDH1A1 1184/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD KDM4E 222/4885HSD17B10 1475/4885ALDH1A1 1184/4885
US-10173977-B2 5-aryl-1H-pyrrole-3-carbonitrile and a pharmaceutical product using the same CYP3A5, CYP3A4, CBR3 KDM4E 420/4885HSD17B10 1220/4885ALDH1A1 467/4885

“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.