Sugi Predict

Sugi Predict / Compounds / SCHEMBL822672

SCHEMBL822672

SCHEMBL822672

Cn1ncnc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.47
▸ NR1H3 Q13133 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ GABRA1 P14867 3/20 0.41
▸ GABRG2 P18507 3/20 0.41
▸ GABRB3 P28472 3/20 0.41
▸ GABRA3 P34903 3/20 0.41
▸ GABRA2 P47869 2/20 0.41

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
SCHEMBL11200344 0.86 GABRA1 (0.40) NR1H2NR1H3NPC1RAB9AMAPT
SCHEMBL18648152 0.83 EGLN2 (0.44) NPC1RAB9AMAPTKDM4EADORA1
SCHEMBL25078620 0.82 RAB9A (0.42) NPC1RAB9AKDM4EKMT2ATSHR
SCHEMBL9007470 0.81 GAA (0.41) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL26542947 0.79 KDM4E (0.45) NR1H2NR1H3NPC1RAB9AMAPT
SCHEMBL22130302 0.79 ALDH1A1 (0.42) NPC1RAB9AMAPTKDM4EADORA2B
SCHEMBL24185639 0.79 NPC1 (0.39) NR1H2NR1H3NPC1RAB9AMAPT
SCHEMBL9007469 0.79 CYP2A6 (0.49) MAPTKDM4ETSHRALDH1A1LMNA
SCHEMBL2658455 0.77 ALDH1A1 (0.44) NPC1RAB9AMAPTKDM4EMAPK1
SCHEMBL3330685 0.77 GPR119 (0.46) RAB9AMAPTKDM4EADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12628827-B2 Isoxazoline compounds and their use as pest control agents PI INDUSTRIES LIMITED (IN) 2026-05-19 — — US disclosed
US-20240057604-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2024-02-22 — — US disclosed
US-11786575-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-17 — — US disclosed
CN-111868173-B Silicone rubber composition with low compression set 莫门蒂夫性能材料有限责任公司 2022-11-01 — — CN disclosed
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 — — EP disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 — — US disclosed
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 — — US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 — — US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 — — US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 — — US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 — — US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 — — US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 — — US disclosed
WO-2009089502-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-16 — — WO disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 — — US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 — — US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 — — US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 — — US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 — — US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 — — 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-11786575-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 NR1H2 2953/4885NR1H3 2898/4885NPC1 893/4885
US-12628827-B2 Isoxazoline compounds and their use as pest control agents HCN1, CBR3, SCN1B NR1H2 626/4885NR1H3 552/4885NPC1 609/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 NR1H2 3957/4885NR1H3 4184/4885NPC1 2684/4885
US-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 NR1H2 3641/4885NR1H3 3790/4885NPC1 287/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E NR1H2 2987/4885NR1H3 2995/4885NPC1 2992/4885
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION AOC2, AOC3, DBH NR1H2 2250/4885NR1H3 1837/4885NPC1 1325/4885
US-20240057604-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PRDX1, RDX, PRDX2 NR1H2 1754/4885NR1H3 1601/4885NPC1 3243/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 NR1H2 3957/4885NR1H3 4184/4885NPC1 2684/4885

“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.