Sugi Predict

Sugi Predict / Compounds / SCHEMBL688577

SCHEMBL688577

SCHEMBL688577

[c]1cccc2c1Nc1ccccc1CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.50
▸ MAPK13 O15264 1/20 0.50
▸ MAPK12 P53778 1/20 0.50
▸ MAPK11 Q15759 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ AHR P35869 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HK1 P19367 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GALK1 P51570 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
SCHEMBL704908 0.79 NPC1 (0.48) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9210549 0.77 KDM4E (0.34) NPC1MAPTMEN1KMT2AKDM4E
SCHEMBL1451213 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL407439 0.76 NPC1 (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3585935 0.73 GAA (0.37) MAPTMEN1KMT2AGAA
SCHEMBL107331 0.69 — —
SCHEMBL689201 0.69 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL345703 0.69 MAPT (0.47) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL615272 0.69 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6469101 0.69 NPC1 (0.72) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301187-B1 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK AS (DK) 2005-07-06 — — EP claimed
WO-2024151809-A1 INHIBITORS OF BONE MORPHOGENETIC PROTEIN RECEPTOR TYPE 2 (BMPR2) AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2024-07-18 — — WO disclosed
WO-2024145273-A2 N-MYRISTOYLTRANSFERASE INHIBITORS AND METHODS OF USE SEATTLE CHILDREN'S HOSPITAL (D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE) (US) 2024-07-04 — — WO disclosed
EP-4392430-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS Yale University (US) 2024-07-03 — — EP disclosed
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 — — EP disclosed
WO-2024124172-A1 COMPOSITIONS AND METHODS FOR STIMULATING AND/OR ENHANCING EXERCISE MOTIVATION AND/OR PHYSICAL PERFORMANCE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2024-06-13 — — WO disclosed
US-20240181438-A1 UNSYMMETRICAL N-HETEROCYCLIC CARBENE CATALYSTS AND METHODS USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-06-06 — — US disclosed
US-20240181067-A1 TARGETED BIFUNCTIONAL DEGRADERS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-06 — — US disclosed
WO-2024112744-A1 CATALYSTS AND METHODS OF USE THEREOF YALE UNIVERSITY (US) 2024-05-30 — — WO disclosed
EP-4373487-A1 CORONAVIRUS MAIN PROTEASE INHIBITORS AND METHODS USING SAME Baylor College of Medicine (US) 2024-05-29 — — EP disclosed
WO-1999046268-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-09-16 — — WO disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 — — WO disclosed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 — — WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 — — WO disclosed
WO-1999045013-A1 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-09-10 — — WO disclosed
WO-1999040062-A1 HYDRAZONE DERIVATIVES NOVO NORDISK A/S (DK) 1999-08-12 — — WO disclosed
WO-1999015529-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-04-01 — — WO disclosed
WO-1998040385-A1 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-09-17 — — WO disclosed
WO-1997039748-A1 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 — — WO disclosed
WO-1997040017-A2 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 — — WO 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-20240181067-A1 TARGETED BIFUNCTIONAL DEGRADERS AND METHODS USING SAME UCHL1, ADAM10, JMJD7 NPC1 3777/4885MAPK13 4312/4885MAPK12 4710/4885
US-20240181438-A1 UNSYMMETRICAL N-HETEROCYCLIC CARBENE CATALYSTS AND METHODS USING SAME NDC1, NUDC, NSFL1C NPC1 1256/4885MAPK13 1295/4885MAPK12 2318/4885

“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.