SCHEMBL194572

SCHEMBL194572

N#Cc1c[nH]c(-c2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.44
MAPK14 Q16539 2/20 0.44
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ERBB2 P04626 1/20 0.39
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
TP53 P04637 1/20 0.37
EGFR P00533 1/20 0.36
CHUK O15111 1/20 0.36
PGR P06401 1/20 0.35

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
SCHEMBL194014 0.81 MCL1 (0.46) GCGRMAPTKDM4EALDH1A1GAA
SCHEMBL193361 0.81 ALDH1A1 (0.48) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL195094 0.81 CYP19A1 (0.49) KDM4EALDH1A1GAAKMT2AGABRG2
SCHEMBL30692738 0.81 GABRG2 (0.47) KDM4EALDH1A1GABRG2GABRB3GABRA5
SCHEMBL29102635 0.81 GABRG2 (0.47) KDM4EALDH1A1GABRG2GABRB3GABRA5
SCHEMBL27864927 0.77 LOXL2 (0.53) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL193936 0.77 MAPT (0.44) MAPTKDM4EALDH1A1HTTKMT2A
SCHEMBL29519961 0.71 GABRG2 (0.40) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL193719 0.71 GABRG2 (0.40) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL27362215 0.71 HMBS (0.46) GCGRMAPK14MAPTKDM4EALDH1A1

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 28 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
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
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
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
CN-102421753-A Process for preparing azole compounds TAKEDA PHARMACEUTICAL 2012-04-18 CN 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 (7 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 GCGR 786/4885MAPK14 3231/4885MAPT 4406/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD GCGR 406/4885MAPK14 564/4885MAPT 3529/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD GCGR 786/4885MAPK14 3231/4885MAPT 4406/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD GCGR 786/4885MAPK14 3231/4885MAPT 4406/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD GCGR 786/4885MAPK14 3231/4885MAPT 4406/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD GCGR 786/4885MAPK14 3231/4885MAPT 4406/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD GCGR 786/4885MAPK14 3231/4885MAPT 4406/4885

“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.