SCHEMBL2704680

SCHEMBL2704680

O=C1NCc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
PARP1 P09874 2/20 0.47
TDP1 Q9NUW8 2/20 0.43
TDP2 O95551 1/20 0.43
NSD2 O96028 1/20 0.43
ABL1 P00519 1/20 0.43
PLCG1 P19174 1/20 0.43
CES1 P23141 1/20 0.43
PAX8 Q06710 1/20 0.43
RIN1 Q13671 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
AURKA O14965 2/20 0.40
CDC25B P30305 3/20 0.39
PTPRC P08575 2/20 0.39
S100A4 P26447 2/20 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
SCHEMBL29919879 1.00 CA12 (0.50) CA12CA9PARP1TDP1TDP2
SCHEMBL24855470 0.82 TDP1 (0.39) CA12CA9PARP1TDP1TDP2
SCHEMBL3399674 0.80 PARP10 (0.53) PARP1TDP1TDP2NSD2ABL1
SCHEMBL23142220 0.77 PDPK1 (0.42) PARP1TDP1TDP2NSD2ABL1
SCHEMBL5394514 0.75 TDP2 (0.52) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL29620435 0.69 MKNK2 (0.40) CA12CA9PARP1CDC25B
SCHEMBL3634104 0.69 MKNK2 (0.40) CA12CA9PARP1CDC25B
SCHEMBL2130102 0.69 TDP1 (0.42) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL14333950 0.69 CA12 (0.40) CA12CA9TDP1BLMAURKA
SCHEMBL2400223 0.69

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
EP-4499632-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2025-02-05 EP disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-10-19 US disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
US-8536164-B2 Fused pyridine compounds as casein kinase inhibitors PFIZER INC. (US) 2013-09-17 US disclosed
US-20130005705-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT LABORATORIES (US) 2013-01-03 US disclosed
WO-2013000994-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-01-03 WO disclosed
WO-2012085721-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC. (US) 2012-06-28 WO disclosed
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC 2012-06-21 US disclosed
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 US disclosed
US-4379153-A Benzenesulfonyl ureas, and pharmaceutical preparations HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-05 US disclosed
EP-0029983-A1 Benzenesulfonyl ureas, processes for their preparation and pharmaceutical compositions containing these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-10 EP 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-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, PKD1, ACE2 CA12 2916/4885CA9 1685/4885PARP1 1572/4885
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 CA12 4175/4885CA9 505/4885PARP1 1060/4885
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS CA12 2341/4885CA9 2700/4885PARP1 1707/4885
US-20130005705-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE2A, PDE4A, PDE5A CA12 4359/4885CA9 2697/4885PARP1 316/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 CA12 3032/4885CA9 1139/4885PARP1 859/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 CA12 2599/4885CA9 1780/4885PARP1 826/4885
US-20230365525-A1 ANTIVIRAL COMPOUNDS ACE, ZC3HAV1, SARS1 CA12 1672/4885CA9 787/4885PARP1 2656/4885
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK1A1, CSNK1A1L, CSNK1E CA12 3531/4885CA9 1306/4885PARP1 2500/4885

“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.