SCHEMBL193429

SCHEMBL193429

O=[C]c1cnc2nc3ccccc3cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
ACHE P22303 1/20 0.41
CYP1A2 P05177 1/20 0.37
MGAM O43451 1/20 0.37
GRM5 P41594 1/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
NR4A1 P22736 1/20 0.35
NQO2 P16083 1/20 0.35
GAA P10253 3/20 0.35
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 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
SCHEMBL3531494 0.79 NQO2 (0.45) ALDH1A1MAPTGLACYP1A2MGAM
SCHEMBL95119 0.76 ALDH1A1 (0.47) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL193430 0.73 ALDH1A1 (0.41) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL194312 0.70 GRM5 (0.53) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL10735436 0.69 ALDH1A1 (0.52) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL224647 0.67 KDM4E (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL14041416 0.67 ALDH1A1 (0.50) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL232457 0.66 ALDH1A1 (0.57) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL1210907 0.65 CYP1A2 (0.48) MAPTCYP1A2NQO2RAB9AKDM4E
SCHEMBL5476308 0.65 ALDH1A1 (0.74) ALDH1A1MAPTHPGDGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-11 US disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 US 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
EP-2963019-B1 METHOD FOR PRODUCING PYRIDINE-3-SULFONYL CHLORIDE TAKEDA PHARMACEUTICALS CO (JP) 2020-08-12 EP 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
EP-3241826-B1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-30 EP disclosed
US-10370357-B2 Method for producing sulfonyl chloride compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-06 US disclosed
US-20070293532-A1 Pyrrolo [2,3-C] Pyridine Compound, Process for Producing the Same, and Use TAKEDA PHARMACEUTICAL COMPAN6Y LIMITED (JP) 2007-12-20 US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 EP disclosed
EP-1787991-A1 PYRROLOÝ2,3-c¨PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2007-05-23 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
US-6294536-B1 CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) 2001-09-25 US disclosed
WO-1998049150-A1 TRIAZINE DERIVATIVES, THEIR PRODUCTION AND AGROCHEMICAL COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed
WO-1998006709-A1 CYCLIC UREA COMPOUNDS, THEIR PRODUCTION AND USE AS HERBICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-19 WO disclosed
WO-1997011075-A1 TRIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-27 WO disclosed
EP-0305939-B1 Process of producing sulfonylurea derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-11-02 EP disclosed
US-4994571-A Reacting heterocycle-containing sulfonamide compound with carbonyl compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-02-19 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 ALDH1A1 1184/4885MAPT 4406/4885HPGD 872/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ALDH1A1 1184/4885MAPT 4406/4885HPGD 872/4885
US-10370357-B2 Method for producing sulfonyl chloride compound P2RY4, P2RY6, P2RX4 ALDH1A1 2395/4885MAPT 4864/4885HPGD 4372/4885
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 ALDH1A1 1043/4885MAPT 4809/4885HPGD 684/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ALDH1A1 1184/4885MAPT 4406/4885HPGD 872/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD ALDH1A1 1184/4885MAPT 4406/4885HPGD 872/4885
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS OTC, SLC38A7, SRI ALDH1A1 795/4885MAPT 76/4885HPGD 1979/4885
US-20070293532-A1 Pyrrolo [2,3-C] Pyridine Compound, Process for Producing the Same, and Use PGA5, ATP6AP1, PPA1 ALDH1A1 1988/4885MAPT 4099/4885HPGD 93/4885

“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.