SCHEMBL195094

SCHEMBL195094

N#Cc1c[nH]c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
TSHR P16473 1/20 0.44
KDM4E B2RXH2 5/20 0.43
MCL1 Q07820 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
IDO1 P14902 2/20 0.41
ATM Q13315 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
GAA P10253 3/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
GFER P55789 1/20 0.38
METAP2 P50579 1/20 0.38
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL30692739 0.81 CYP19A1 (0.46) CYP19A1TSHRKDM4EMCL1ALDH1A1
SCHEMBL193361 0.81 ALDH1A1 (0.48) KDM4EMCL1ALDH1A1HPGDATM
SCHEMBL194014 0.81 MCL1 (0.46) TSHRKDM4EMCL1ALDH1A1HPGD
SCHEMBL194572 0.81 GCGR (0.44) KDM4EALDH1A1GAAMAOAMAOB
SCHEMBL30692738 0.80 GABRG2 (0.47) KDM4EALDH1A1HPGDIDO1CLK4
SCHEMBL29102635 0.80 GABRG2 (0.47) KDM4EALDH1A1HPGDIDO1CLK4
SCHEMBL23782957 0.80 IDO1 (0.53) CYP19A1KDM4EMCL1ALDH1A1HPGD
SCHEMBL23079060 0.80 DYRK1A (0.46) CYP19A1KDM4EMCL1ALDH1A1HPGD
SCHEMBL193936 0.77 MAPT (0.44) KDM4EALDH1A1MAOAMAOBKMT2A
SCHEMBL27864927 0.77 LOXL2 (0.53) IDO1

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117030876-A Method for detecting related substances of Fu Nuola raw starting material of fumaric acid 山东新华制药股份有限公司 2023-11-10 CN claimed
CN-114835619-A Process for preparing azole compounds 武田药品工业株式会社 2022-08-02 CN claimed
CN-108129374-A The method for preparing azole compounds 武田药品工业株式会社 2018-06-08 CN claimed
CN-105524046-A Process for producing pyrrole compound TAKEDA PHARMACEUTICAL 2016-04-27 CN claimed
CN-104211618-A Process for producing pyrrole compound TAKEDA PHARMACEUTICAL 2014-12-17 CN claimed
CN-102421753-A Process for preparing azole compounds TAKEDA PHARMACEUTICAL 2012-04-18 CN claimed
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
CN-117030876-A Method for detecting related substances of Fu Nuola raw starting material of fumaric acid 山东新华制药股份有限公司 2023-11-10 CN disclosed
CN-117030876-A Method for detecting related substances of Fu Nuola raw starting material of fumaric acid 山东新华制药股份有限公司 2023-11-10 CN 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
EP-0312723-B1 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID CO (US) 1993-12-22 EP disclosed
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
EP-0358047-A2 Method of controlling phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1990-03-14 EP disclosed
CN-1039807-A Desinsection, kill mite, nematocides aryl-pyrrolidine and preparation method thereof AMERICAN CYANAMID CO (US) 1990-02-21 CN disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP 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 (3 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-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD CYP19A1 63/4885TSHR 1540/4885KDM4E 807/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP19A1 548/4885TSHR 1513/4885KDM4E 222/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD CYP19A1 548/4885TSHR 1513/4885KDM4E 222/4885

“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.