SCHEMBL1311900

SCHEMBL1311900

C=Cc1ncc(C)nc1C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDXK O00764 2/20 0.38
JAK3 P52333 1/20 0.34
KCNJ1 P48048 1/20 0.31

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
SCHEMBL10307330 0.82 PDXK (0.35) PDXKJAK3
SCHEMBL29922826 0.82 PDXK (0.35) PDXKJAK3
SCHEMBL27223316 0.78 PDXK (0.43) PDXK
SCHEMBL30821325 0.78 PDXK (0.43) PDXK
SCHEMBL23028344 0.77 KCNJ1 (0.49) JAK3KCNJ1
SCHEMBL29956450 0.77 KCNJ1 (0.49) JAK3KCNJ1
SCHEMBL7702100 0.76 NOS2 (0.34) JAK3KCNJ1
SCHEMBL1312618 0.75 PDXK (0.38) PDXK
SCHEMBL24600094 0.75 PDXK (0.34) PDXK
SCHEMBL22538897 0.75 PDXK (0.34) PDXK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118266630-A Coffee flavor composition, nicotine buccal product and preparation method thereof 东莞市吉纯生物技术有限公司 2024-07-02 CN claimed
US-12575585-B2 Crumb chocolate flavor compositions MARS, INCORPORATED (US) 2026-03-17 US disclosed
EP-4672982-A1 PROCESS FOR PREPARING A FLAVOR COMPOSITION Firmenich SA (CH) 2026-01-07 EP disclosed
EP-3383192-B2 CRUMB CHOCOLATE FLAVOR COMPOSITIONS MARS INC (US) 2025-04-16 EP disclosed
US-20250058922-A1 REUSABLE PLASTIC BOTTLE ALPLA WERKE ALWIN LEHNER GMBH & CO. KG (AT) 2025-02-20 US disclosed
WO-2024179905-A1 PROCESS FOR PREPARING A FLAVOR COMPOSITION FIRMENICH SA (CH) 2024-09-06 WO disclosed
CN-118266630-A Coffee flavor composition, nicotine buccal product and preparation method thereof 东莞市吉纯生物技术有限公司 2024-07-02 CN disclosed
CN-113834886-B Detection method for rapidly and accurately quantifying nitrogen-oxygen heterocyclic compounds in green tea and evaluation method for dryness degree of green tea 中国农业科学院茶叶研究所 2022-12-20 CN disclosed
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same T. HASEGAWA CO., LTD. (JP) 2022-05-17 US disclosed
CN-113834886-A Detection method for rapidly and accurately quantifying nitrogen-oxygen heterocyclic compounds in green tea and evaluation method for dryness degree of green tea 中国农业科学院茶叶研究所 2021-12-24 CN disclosed
US-4927913-A Cured product from thermosettable prepolymer prepared from heterocyclic materials having alkyl substituents, mono- or dianhydrides, ethylenically unsaturated materials and a hydroxide, carbonate or bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1990-05-22 US disclosed
US-4847355-A Thermosettable prepolymer prepared from heterocyclic material having alkyl substituents, mono- or dianhydride, ethylenically unsaturated material and a hydroxide, carbonate of bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
US-4831137-A Reaction products of pteridine and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1989-05-16 US disclosed
US-4812531-A Thermosettable polymers or prepolymers prepared from heterocyclic materials having alkyl substituents, mono- or dianhydrides, ethylenically unsaturated materials and a hydroxide, carbonate or bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1989-03-14 US disclosed
US-4755600-A Reaction products of pyrazine, pyridine, quinoline and quinoxaline derivatives and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1988-07-05 US disclosed
US-4752636-A Thermosettable polymer or prepolymer prepared from heterocyclic materials containing nitrogen atoms, carboxylic acid mono- or dianhydrides and a polymerizable material with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1988-06-21 US disclosed
US-4680347-A Thermosettable polystyrylpyrazine polymers terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1987-07-14 US disclosed
US-4668766-A Preparation of thermosettable polymer or prepolymer from heterocyclic material containing nitrogen atoms, carboxylic acid mono- or dianhydride and a polymerizable material with ethylenically unsaturated group THE DOW CHEMICAL COMPANY (US) 1987-05-26 US disclosed
US-4654414-A Thermosettable polymer or prepolymer prepared from heterocyclic material having alkyl substituent, mono- or dianhydride, ethylenically unsaturated material and a hydroxide, carbonate or bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1987-03-31 US disclosed
US-4629770-A Thermosettable polystyrylpyrazine polymers terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1986-12-16 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 (2 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-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same TAS2R1, TAS1R1, TAS2R10 PDXK 885/4885JAK3 2716/4885KCNJ1 875/4885
US-12575585-B2 Crumb chocolate flavor compositions DAGLA, MSMO1, HSD3B2 PDXK 443/4885JAK3 3494/4885KCNJ1 2948/4885

“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.