SCHEMBL194157

SCHEMBL194157

Clc1ccc(-c2cc[c]cn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
CYP2A6 P11509 1/20 0.42
NOTUM Q6P988 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
NAPRT Q6XQN6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ERN1 O75460 1/20 0.33
CHRNA7 P36544 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
CHRNA3 P32297 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL1416238 0.79 RAB9A (0.39) CYP2A6NOTUMNPC1RAB9AALDH1A1
SCHEMBL194158 0.76
SCHEMBL3512283 0.75 EGLN2 (0.39) PIK3CD
SCHEMBL1417061 0.74 AHR (0.46) NOTUMNPC1RAB9AALDH1A1KDM4E
SCHEMBL1724662 0.74 MKNK1 (0.46) PIK3CDCYP2A6ERN1
SCHEMBL2752723 0.73 KDM1A (0.39)
SCHEMBL1662273 0.72 PIK3CD (0.73) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL196791 0.72 KDM4E (0.30) KDM4ECYP1A2
SCHEMBL7954169 0.71 CYP11B1 (0.39) PTGS2CHRNB2CHRNA4CHRNA7CHRNA3
SCHEMBL998693 0.71 ATM (0.37) CYP2A6

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 64 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-12202797-B2 Method for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-01-21 US disclosed
US-20230322669-A1 METHOD FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 US disclosed
EP-4257577-A2 METHOD FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2023-10-11 EP disclosed
US-11649206-B2 Method for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-16 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
EP-3929187-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-12-29 EP disclosed
US-20210309609-A1 METHOD FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-07 US disclosed
US-11066362-B2 Method for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-20 US disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
EP-2309985-A2 PHARMACEUTICAL COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed
EP-1919865-B1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2011-04-06 EP disclosed
WO-2010013823-A2 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 WO disclosed
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-11-05 US disclosed
US-20090143444-A1 ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-04 US disclosed
US-7498337-B2 Acid secretion inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-03 US disclosed
EP-1919865-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP disclosed
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US disclosed
WO-2007026916-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO 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 (12 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-20090143444-A1 ACID SECRETION INHIBITOR HRH2, VIP, CCKBR PIK3CD 3037/4885CYP2A6 833/4885NOTUM 460/4885
US-11066362-B2 Method for producing pyrrole compound HPD, PPOX, CBR3 PIK3CD 2899/4885CYP2A6 437/4885NOTUM 724/4885
US-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 PIK3CD 671/4885CYP2A6 84/4885NOTUM 561/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD PIK3CD 1310/4885CYP2A6 49/4885NOTUM 89/4885
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR HRH2, ASNS, GHSR PIK3CD 2279/4885CYP2A6 859/4885NOTUM 268/4885
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease HRH2, GIPR, HRH4 PIK3CD 1431/4885CYP2A6 1525/4885NOTUM 2294/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD PIK3CD 1889/4885CYP2A6 46/4885NOTUM 62/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD PIK3CD 1889/4885CYP2A6 46/4885NOTUM 62/4885
US-12202797-B2 Method for producing pyrrole compound HPD, PPOX, CBR3 PIK3CD 2899/4885CYP2A6 437/4885NOTUM 724/4885
US-20210309609-A1 METHOD FOR PRODUCING PYRROLE COMPOUND HPD, PPOX, CBR3 PIK3CD 2899/4885CYP2A6 437/4885NOTUM 724/4885
US-20230322669-A1 METHOD FOR PRODUCING PYRROLE COMPOUND HPD, PPOX, CBR3 PIK3CD 2899/4885CYP2A6 437/4885NOTUM 724/4885
US-11649206-B2 Method for producing pyrrole compound HPD, PPOX, CBR3 PIK3CD 2899/4885CYP2A6 437/4885NOTUM 724/4885

“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.