SCHEMBL390375

SCHEMBL390375

O=c1[nH]ccc2ccsc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.46
PDPK1 O15530 2/20 0.46
JAK2 O60674 1/20 0.41
RPS6KA3 P51812 1/20 0.41
MELK Q14680 1/20 0.41
STK24 Q9Y6E0 1/20 0.41
CYP2A6 P11509 1/20 0.38
DAO P14920 2/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHEK1 O14757 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIM1 P11309 1/20 0.33
DYRK1A Q13627 1/20 0.32

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
Hydrochloric Acid SCHEMBL391441 0.98 PARP1 (0.44) PARP1PDPK1JAK2RPS6KA3MELK
SCHEMBL21243890 0.75 PARP1 (0.40) PARP1PDPK1RECQLTDP1RAB9A
SCHEMBL4419238 0.74 TNF (0.39) PDPK1CYP2A6MAPTRAB9A
SCHEMBL8180483 0.74 CYP2A6 (0.34) CYP2A6PIM1
SCHEMBL3840439 0.70 CYP1A2 (0.36) PARP1PDPK1CYP2A6
SCHEMBL6650051 0.69 PDPK1 (0.44) PARP1PDPK1CYP2A6DAOMAPT
SCHEMBL396627 0.67
SCHEMBL793638 0.67 CYP2A6 (0.46) PARP1PDPK1CYP2A6DAOPIM1
SCHEMBL16596109 0.67 EGFR (0.35) PARP1CYP2A6
SCHEMBL9550048 0.67 ALDH1A1 (0.46) PARP1PDPK1JAK2RPS6KA3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP claimed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO claimed
US-12545700-B2 Excitonic quantum computing via aggregate-aggregate coupling BOISE STATE UNIVERSITY (US) 2026-02-10 US disclosed
US-12479998-B2 Dyes in dye aggregate systems—engineering J, K, and dye packing BOISE STATE UNIVERSITY (US) 2025-11-25 US disclosed
EP-4634170-A1 IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS PCSK9 INHIBITORS AND METHODS OF USE THEREOF AstraZeneca AB (SE) 2025-10-22 EP disclosed
US-12292668-B2 Molecular aggregate for optically-pumped nonreciprocal exciton devices BOISE STATE UNIVERSITY (US) 2025-05-06 US disclosed
US-20250092054-A1 FUSED PYRIDINES FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2025-03-20 US disclosed
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-18 US disclosed
US-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-01-21 US disclosed
US-12173027-B2 Excitonic quantum computing mediated by chromophore-embedded 1-, 2-, and 3-dimensional DNA scaffolds BOISE STATE UNIVERSITY (US) 2024-12-24 US disclosed
WO-2024238871-A1 ARYL SULFONAMIDE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS RECTIFY PHARMACEUTICALS, INC. (US) 2024-11-21 WO disclosed
US-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2005-11-10 US disclosed
US-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2005-11-10 US disclosed
CN-1093856-C Substituted sulfonic acid N- [ (aminoiminomethyl) phenylalkyl ] -azacyclic amide compounds AVENTIS PHARM PROD INC (US) 2002-11-06 CN disclosed
EP-0894088-A4 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2001-12-05 EP disclosed
US-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed
EP-0271273-A2 Thieno-and furopyridine sulfonamides MERCK & CO. INC. (US) 1988-06-15 EP disclosed
US-4731368-A Thienopyridine sulfonamides and their ophthalmological formulation MERCK & CO., INC. (US) 1988-03-15 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 (5 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-20250092054-A1 FUSED PYRIDINES FOR CONTROLLING INVERTEBRATE PESTS PRF1, ACHE, C5 PARP1 2920/4885PDPK1 225/4885JAK2 2020/4885
US-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors PTP4A3, PTPRO, PTPRC PARP1 1151/4885PDPK1 221/4885JAK2 103/4885
US-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 PARP1 1320/4885PDPK1 2642/4885JAK2 1783/4885
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors PTP4A3, PTPRC, PTPRF PARP1 1313/4885PDPK1 147/4885JAK2 86/4885
US-12545700-B2 Excitonic quantum computing via aggregate-aggregate coupling ELAVL1, ELAVL3, NCAPH PARP1 416/4885PDPK1 4217/4885JAK2 1921/4885

“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.