SCHEMBL194033

SCHEMBL194033

CSc1[nH]c(-c2ccc(Br)cc2)cc1C#N.N#CC(C#N)CC(=O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
RECQL P46063 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MET P08581 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL193844 0.90 KDM4E (0.39) KDM4EHSD17B10ALDH1A1NPC1LMNA
SCHEMBL13182042 0.82 PTGES (0.43) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL15986292 0.78 ALDH1A1 (0.47) KDM4EALDH1A1NPC1LMNARAB9A
SCHEMBL15936022 0.75 KMT2A (0.42) KDM4EHSD17B10ALDH1A1POLBRECQL
SCHEMBL28221563 0.75 GSK3B (0.53) HSD17B10NPC1HPGDRAB9AMEN1
SCHEMBL193885 0.73 KDM4E (0.39) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL194128 0.69 AXL (0.45) KDM4EHSD17B10ALDH1A1SMN1; SMN2KMT2A
SCHEMBL194725 0.68 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1SMN1; SMN2POLB
SCHEMBL194908 0.66 KDM4E (0.42) KDM4EHSD17B10ALDH1A1SMN1; SMN2POLB
SCHEMBL11154998 0.66 GSK3B (0.48) HSD17B10ALDH1A1SMN1; SMN2POLBRECQL

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 17 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-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 KDM4E 222/4885HSD17B10 1475/4885ALDH1A1 1184/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD KDM4E 222/4885HSD17B10 1475/4885ALDH1A1 1184/4885
US-20230088365-A1 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.