SCHEMBL193430

SCHEMBL193430

O=Cc1cnc2nc3ccccc3cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
ACHE P22303 1/20 0.41
CYP1A2 P05177 3/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
MGAM O43451 1/20 0.37
RAB9A P51151 3/20 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

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
SCHEMBL97699 0.76 ALDH1A1 (0.47) ALDH1A1MAPTHPGDHSD17B10PDGFRB
SCHEMBL28747408 0.74 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHSD17B10PDGFRB
Hydrochloric Acid SCHEMBL28114264 0.74 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHSD17B10PDGFRB
SCHEMBL27991306 0.74 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHSD17B10PDGFRB
SCHEMBL193429 0.73 ALDH1A1 (0.41) ALDH1A1GAAMAPTHPGDGLA
SCHEMBL3276003 0.70 ALDH1A1 (0.58) ALDH1A1ACHERAB9AKMT2AMEN1
SCHEMBL230838 0.70 NPC1 (0.57) ALDH1A1MAPTCYP1A2RAB9AKMT2A
Lithium SCHEMBL30618810 0.69 NPC1 (0.55) ALDH1A1MAPTCYP1A2RAB9AKMT2A
SCHEMBL31364411 0.69 NPC1 (0.55) ALDH1A1MAPTCYP1A2RAB9AKMT2A
Ammonia Solution, Strong SCHEMBL29096034 0.69 NPC1 (0.55) ALDH1A1MAPTCYP1A2RAB9AKMT2A

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 1184/4885GAA 228/4885MAPT 4406/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ALDH1A1 1184/4885GAA 228/4885MAPT 4406/4885
US-10370357-B2 Method for producing sulfonyl chloride compound P2RY4, P2RY6, P2RX4 ALDH1A1 2395/4885GAA 2857/4885MAPT 4864/4885
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 1043/4885GAA 1754/4885MAPT 4809/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD ALDH1A1 1184/4885GAA 228/4885MAPT 4406/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD ALDH1A1 1184/4885GAA 228/4885MAPT 4406/4885
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS OTC, SLC38A7, SRI ALDH1A1 795/4885GAA 1157/4885MAPT 76/4885
US-20070293532-A1 Pyrrolo [2,3-C] Pyridine Compound, Process for Producing the Same, and Use PGA5, ATP6AP1, PPA1 ALDH1A1 1988/4885GAA 212/4885MAPT 4099/4885

“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.