SCHEMBL194154

SCHEMBL194154

N#CC(C#N)CC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 3/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 4/20 0.47
GSK3B P49841 2/20 0.47
PTPN1 P18031 2/20 0.47
TRPA1 O75762 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL3980442 0.82 TSHR (0.55) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL28221563 0.82 GSK3B (0.53) KMT2AHPGDMEN1CES1NPC1
SCHEMBL11439345 0.81 TSHR (0.58) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL1754734 0.81 TSHR (0.53) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL194701 0.81 GSK3B (0.52) TSHRMAPTKMT2AALOX15CES1
SCHEMBL194868 0.81 SMN1; SMN2 (0.50) MAPTKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL11454419 0.81 TSHR (0.53) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL31326025 0.81 TSHR (0.53) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL11275981 0.81 TSHR (0.53) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL193893 0.81 ALDH1A1 (0.50) MAPTKMT2ASMN1; SMN2MEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP disclosed
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-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US disclosed
CN-111871460-B Thioamide small molecule catalyst based on C2 symmetry and pseudo C2 symmetry and synthesis and application thereof 山西医科大学 2023-03-24 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-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-28 US disclosed
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-28 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
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
WO-2008008286-A2 SUBSTITUTED PYRAZOLES AS GHRELIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 WO disclosed
US-20050096354-A1 Process for the preparation of substituted aryl pyrazoles PFIZER, INC. (US) 2005-05-05 US disclosed
WO-2005023773-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED ARYL PYRAZOLES PFIZER LIMITED (GB) 2005-03-17 WO disclosed
US-6271392-B1 Intermediates useful for the synthesis of 1-arylpyrrole pesticides RHONE-POULENC INC. 2001-08-07 US disclosed
EP-0708090-A1 Intermediates useful for the synthesis of pesticides RHONE-POULENC AGROCHIMIE (FR) 1996-04-24 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 (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-20050096354-A1 Process for the preparation of substituted aryl pyrazoles CYP3A5, DDT, CYP3A4 TSHR 1270/4885MAPT 3631/4885KMT2A 3661/4885
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 TSHR 3130/4885MAPT 1391/4885KMT2A 2158/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD TSHR 1540/4885MAPT 3529/4885KMT2A 4271/4885
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 TSHR 3130/4885MAPT 1391/4885KMT2A 2158/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD TSHR 1513/4885MAPT 4406/4885KMT2A 2285/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD TSHR 1513/4885MAPT 4406/4885KMT2A 2285/4885
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists GIPR, GPR119, GLP1R TSHR 70/4885MAPT 4701/4885KMT2A 3722/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD TSHR 1513/4885MAPT 4406/4885KMT2A 2285/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR TSHR 3243/4885MAPT 2424/4885KMT2A 334/4885

“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.