SCHEMBL194146

SCHEMBL194146

COc1ccc(-c2cc(C#N)c[nH]2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.47
CYP1B1 Q16678 3/20 0.47
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP4B1 P13584 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP3A5 P20815 1/20 0.44
CYP2A7 P20853 1/20 0.44
CYP3A7 P24462 1/20 0.44
CYP2F1 P24903 1/20 0.44
CYP2C18 P33260 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2J2 P51589 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4F8 P98187 1/20 0.44

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
SCHEMBL29815731 1.00 CYP1A1 (0.47) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL193936 0.78 MAPT (0.44) ALDH1A1ADORA1MAPK1HTTSNCA
SCHEMBL17280185 0.73 CYP1A1 (0.64) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL8528175 0.72 CYP1A1 (0.46) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL11937464 0.72 XDH (0.46) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL196689 0.71 CYP1A1 (0.69) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL29589241 0.71 CYP1A1 (0.69) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL19718908 0.70 CYP1A1 (0.54) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL193781 0.67 LRRK2 (0.41) GAALMNAKDM4EHPGDAR
SCHEMBL20792671 0.67 CYP1A1 (0.59) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1

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 24 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
EP-2402313-B1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-08-24 EP disclosed
CN-105524046-A Process for producing pyrrole compound TAKEDA PHARMACEUTICAL 2016-04-27 CN disclosed
US-9266831-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-23 US disclosed
CN-102421753-B Process for preparing azole compounds TAKEDA PHARMACEUTICAL 2014-12-31 CN disclosed
CN-104211618-A Process for producing pyrrole compound TAKEDA PHARMACEUTICAL 2014-12-17 CN 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 CYP1A1 247/4885CYP1B1 105/4885CYP3A4 8/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP1A1 247/4885CYP1B1 105/4885CYP3A4 8/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD CYP1A1 33/4885CYP1B1 31/4885CYP3A4 6/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP1A1 247/4885CYP1B1 105/4885CYP3A4 8/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD CYP1A1 247/4885CYP1B1 105/4885CYP3A4 8/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 CYP1A1 55/4885CYP1B1 18/4885CYP3A4 2/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP1A1 247/4885CYP1B1 105/4885CYP3A4 8/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD CYP1A1 247/4885CYP1B1 105/4885CYP3A4 8/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP1A1 247/4885CYP1B1 105/4885CYP3A4 8/4885

“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.