SCHEMBL194193

SCHEMBL194193

COC(=O)c1c[nH]c(-c2ccccc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDR P35968 4/20 0.41
MAPK14 Q16539 1/20 0.41
PDK2 Q15119 2/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
FLT1 P17948 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL29815918 1.00 NPC1 (0.49) NPC1RAB9AALDH1A1L3MBTL1KMT2A
SCHEMBL30267515 0.85 JAK2 (0.49) RAB9AALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL1156246 0.85 JAK2 (0.49) RAB9AALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL1156402 0.84 NR4A2 (0.46) NPC1RAB9AALDH1A1L3MBTL1TSHR
SCHEMBL31647020 0.82 GAA (0.46) ALDH1A1L3MBTL1KMT2AKDM4EMAPT
SCHEMBL27723391 0.81 KDM5A (0.46) NPC1RAB9ATSHR
SCHEMBL30340033 0.81 MAP2K1 (0.44) ALDH1A1L3MBTL1KDM4EHTTKDR
SCHEMBL29265323 0.81 MAP2K1 (0.44) ALDH1A1L3MBTL1KDM4EHTTKDR
SCHEMBL21666674 0.80 CDC7 (0.37) NPC1RAB9AALDH1A1L3MBTL1MAPT
SCHEMBL28654565 0.80 CDC7 (0.50) NPC1RAB9AALDH1A1L3MBTL1TSHR

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 25 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
CN-108148044-B Amide compound and method for preparing Vonoprazan fumarate from same 上海医药工业研究院 2024-05-14 CN disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 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
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 (8 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 NPC1 3597/4885RAB9A 1700/4885ALDH1A1 1184/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD NPC1 3597/4885RAB9A 1700/4885ALDH1A1 1184/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD NPC1 3397/4885RAB9A 2682/4885ALDH1A1 1045/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD NPC1 3597/4885RAB9A 1700/4885ALDH1A1 1184/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 NPC1 2610/4885RAB9A 1497/4885ALDH1A1 467/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD NPC1 3597/4885RAB9A 1700/4885ALDH1A1 1184/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD NPC1 3597/4885RAB9A 1700/4885ALDH1A1 1184/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD NPC1 3597/4885RAB9A 1700/4885ALDH1A1 1184/4885

“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.