Sugi Predict

Sugi Predict / Compounds / SCHEMBL245100

SCHEMBL245100

SCHEMBL245100

COc1ccnc(CO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 11/20 0.62
▸ NOS1 P29475 10/20 0.62
▸ NOS3 P29474 7/20 0.62
▸ CCR1 P32246 1/20 0.55
▸ CCR5 P51681 1/20 0.55
▸ CCR8 P51685 1/20 0.55
▸ PLAU P00749 1/20 0.47
▸ DYRK1A Q13627 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CBFB Q13951 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR1A P08908 1/20 0.42

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
SCHEMBL29694712 1.00 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL4104275 0.85 NOS2 (0.59) NOS2NOS1NOS3CCR1CCR5
SCHEMBL5657197 0.82 NOTUM (0.48) NOS2NOS1NOS3ALDH1A1KDM4E
SCHEMBL23554280 0.82 NOS2 (0.44) NOS2NOS1NOS3CCR1CCR5
SCHEMBL29550059 0.82 NOS2 (0.44) NOS2NOS1NOS3CCR1CCR5
SCHEMBL2760431 0.82 NOS2 (0.65) NOS2NOS1NOS3CCR1CCR5
SCHEMBL8500796 0.80 LNPEP (0.50) NOS2NOS1NOS3CCR1CCR5
SCHEMBL8502419 0.80 LNPEP (0.47) NOS2NOS1NOS3CCR1CCR5
SCHEMBL20099812 0.80 NOS2 (0.54) NOS2NOS1NOS3CCR1CCR5
SCHEMBL1061501 0.80 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 — — WO claimed
US-20260028365-A1 TYROSINE KINASE 2 INHIBITORS AND USES THEREOF BIOGEN MA INC (US) 2026-01-29 — — US disclosed
US-20250325552-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2025-10-23 — — US disclosed
EP-4630410-A1 POLQ INHIBITORS Astrazeneca AB (SE) 2025-10-15 — — EP disclosed
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 — — US disclosed
US-12414954-B2 POLQ inhibitors ASTRAZENECA AB (SE) 2025-09-16 — — US disclosed
US-20250195530-A1 POLQ INHIBITORS ASTRAZENECA AB (SE) 2025-06-19 — — US disclosed
US-20250197368-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS DRAIG THERAPEUTICS LTD. (GB) 2025-06-19 — — US disclosed
US-12318403-B2 2′3′-cyclic dinucleotides and prodrugs thereof INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2025-06-03 — — US disclosed
CN-111954675-B 3' -Cyclic dinucleotides 捷克共和国有机化学与生物化学研究所 2025-04-01 — — CN disclosed
EP-0144230-A2 Growth promotants for animals Pfizer Limited (GB) 1985-06-12 — — EP disclosed
EP-0134400-A2 Fluoroalkoxysubstituted pyridylmethylthio-(or sulfinyl-)benzimidazoles having a secretolytic activity Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-03-20 — — EP disclosed
EP-0127763-A1 Tricyclic ethers, process for their preparation, their use and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-12-12 — — EP disclosed
US-4472409-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-18 — — US disclosed
US-4426526-A HISTAMINE ANTAGONISTS, ANTIINFLAMMATORY, ANTISECRETORY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-01-17 — — US disclosed
EP-0080602-A1 Substituted benzimidazoles, process for their preparation, their use and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-06-08 — — EP disclosed
US-4264608-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-04-28 — — US disclosed
US-4215126-A HISTAMINE H2 BLOCKING SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-29 — — US disclosed
US-4156727-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-29 — — US disclosed
US-4154838-A ANTIHISTAMINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 — — 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 (7 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-20250325552-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLK, POLH NOS2 4009/4885NOS1 3889/4885NOS3 3554/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 NOS2 1524/4885NOS1 1451/4885NOS3 1009/4885
US-12414954-B2 POLQ inhibitors POLQ, POLG, POLB NOS2 4258/4885NOS1 3975/4885NOS3 4032/4885
US-20250197368-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS GABRA2, GABRA3, GABRB2 NOS2 2383/4885NOS1 2842/4885NOS3 2239/4885
US-12318403-B2 2′3′-cyclic dinucleotides and prodrugs thereof STING1, CGAS, NT5C2 NOS2 820/4885NOS1 926/4885NOS3 688/4885
US-20250195530-A1 POLQ INHIBITORS POLQ, POLG, POLB NOS2 4258/4885NOS1 3975/4885NOS3 4032/4885
US-20260028365-A1 TYROSINE KINASE 2 INHIBITORS AND USES THEREOF TYK2, ERBB2, ROS1 NOS2 1357/4885NOS1 1348/4885NOS3 1355/4885

“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.