Sugi Predict

Sugi Predict / Compounds / SCHEMBL2491046

SCHEMBL2491046

SCHEMBL2491046

c1ccc(-c2nnc[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.45
▸ ADK P55263 1/20 0.45
▸ NISCH Q9Y2I1 1/20 0.45
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DCUN1D1 Q96GG9 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL28050257 0.96 MTOR (0.42) MTORADKNISCHNPC1RAB9A
SCHEMBL7015796 0.82 LTA4H (0.51) NISCHNPC1RAB9ANR1H2
SCHEMBL27895959 0.80 CYP2E1 (0.38) MTORADKNISCH
SCHEMBL31129201 0.77 METAP2 (0.35) —
SCHEMBL969435 0.77 SMN1; SMN2 (0.44) NPC1RAB9AKDM4EPOLBL3MBTL1
SCHEMBL158909 0.77 ATM (0.39) NPC1RAB9AMAPK1MAPTNR1H2
SCHEMBL13043220 0.77 NISCH (0.48) NISCHNPC1RAB9ADCUN1D1KDM4E
SCHEMBL3751343 0.77 ASIC3 (0.44) NPC1RAB9ACYP3A4MAPK1KDM4E
SCHEMBL27757092 0.77 KDM4E (0.42) NPC1RAB9AMAPK1DCUN1D1KDM4E
SCHEMBL12127283 0.77 PDE3B (0.43) MAPTMEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702682-A Spirobifluorene-based compound and preparation method and application thereof 厦门稀土材料研究所 2024-09-27 — — CN claimed
CN-112385019-A Etchant composition 朗姆研究公司 2021-02-19 — — CN claimed
CN-107252429-A New antiinflammatory 雷斯韦洛吉克斯公司 2017-10-17 — — CN claimed
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 — — US disclosed
CN-112385019-B Etchant composition 朗姆研究公司 2025-04-29 — — CN disclosed
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 — — WO disclosed
US-12139635-B2 Coatings for waterproofing electronic components HENKEL AG & CO. KGAA (DE) 2024-11-12 — — US disclosed
CN-118702682-A Spirobifluorene-based compound and preparation method and application thereof 厦门稀土材料研究所 2024-09-27 — — CN disclosed
WO-2024150479-A1 COMPOSITION FOR ELECTRODE FORMATION, ADDITIVE, AND GELATION INHIBITOR 日産化学株式会社 2024-07-18 — — WO disclosed
WO-2024150450-A1 COMPOSITION FOR ELECTRODE FORMATION, ADDITIVE, AND GELATION INHIBITOR 日産化学株式会社 2024-07-18 — — WO disclosed
WO-2024150812-A1 COMPOSITION FOR ELECTRODE FORMATION, ADDITIVE, AND GELATION INHIBITOR 日産化学株式会社 2024-07-18 — — WO disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 — — WO disclosed
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives GLAXO GROUP LIMITED (GB) 2009-02-05 — — US disclosed
EP-1869017-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-12-26 — — EP disclosed
WO-2007104162-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 — — WO disclosed
US-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2007-09-06 — — US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 — — US disclosed
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2007-02-15 — — US disclosed
WO-2006108701-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2006-10-19 — — WO disclosed
EP-0176444-A1 Process for the preparation of derivatives of 4H-1,2,4-triazole, triazoles so obtained, their use as medicaments, and pharmaceutical compositons containing them ROUSSEL-UCLAF (FR) 1986-04-02 — — 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 (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-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 MTOR 1251/4885ADK 2764/4885NISCH 1993/4885
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX MTOR 1216/4885ADK 2165/4885NISCH 3821/4885
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives ADH1C, PKD1, HTT MTOR 1895/4885ADK 4691/4885NISCH 1961/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 MTOR 3332/4885ADK 3581/4885NISCH 1141/4885
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors GIPR, GHSR, GPR119 MTOR 1251/4885ADK 2764/4885NISCH 1993/4885

“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.