Sugi Predict

Sugi Predict / Compounds / SCHEMBL786513

SCHEMBL786513

SCHEMBL786513

Clc1nc(Nc2cc(C3CC3)[nH]n2)c2ccccc2n1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 3/20 0.65
▸ PAK4 O96013 3/20 0.65
▸ PAK1 Q13153 3/20 0.65
▸ NTRK1 P04629 2/20 0.64
▸ SRC P12931 3/20 0.62
▸ GSK3B P49841 3/20 0.62
▸ CCNA2 P20248 2/20 0.62
▸ CDK2 P24941 2/20 0.62
▸ NTRK3 Q16288 1/20 0.59
▸ NTRK2 Q16620 1/20 0.59
▸ AURKB Q96GD4 1/20 0.56
▸ PDK1 Q15118 1/20 0.54
▸ ULK2 Q8IYT8 1/20 0.54

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
SCHEMBL29618398 1.00 ULK1 (0.65) ULK1PAK4PAK1NTRK1SRC
SCHEMBL4069145 0.87 PAK4 (0.69) PAK4PAK1NTRK1SRCGSK3B
SCHEMBL4070230 0.87 NTRK1 (0.63) PAK4PAK1NTRK1SRCGSK3B
SCHEMBL31471756 0.85 ULK1 (0.71) ULK1PAK4PAK1NTRK1SRC
SCHEMBL4068008 0.85 NTRK1 (0.61) PAK4PAK1NTRK1SRCGSK3B
SCHEMBL4071502 0.85 NTRK1 (0.61) ULK1PAK4PAK1NTRK1NTRK3
SCHEMBL3998184 0.84 SRC (0.80) ULK1PAK4PAK1NTRK1SRC
SCHEMBL12430667 0.83 ULK1 (0.86) ULK1PAK4PAK1NTRK1SRC
SCHEMBL31471722 0.83 ULK1 (0.72) ULK1PAK4PAK1NTRK1SRC
SCHEMBL31471779 0.83 ULK1 (0.86) ULK1PAK4PAK1NTRK1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024206628-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2024-10-03 — — WO disclosed
WO-2020118183-A1 2,4-DIAMINOPYRIMIDINE BICYCLES FOR TREATING CANCER KAPOOR TARUN M (US) 2020-06-11 — — WO disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
CN-1926132-B Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA CO LTD 2010-12-29 — — CN disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 — — US disclosed
US-6610677-B2 Enhancing glycogen synthesis, lowering blood levels of glucose, treating colon, ovarian, or breast cancer, treating diabetes, treating schizophrenia VERTEX PHARMACEUTICALS INCORPORATED 2003-08-26 — — US disclosed
EP-1318997-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-06-18 — — EP disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 — — US disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 — — US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — US disclosed
WO-2002022607-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — 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 (9 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 ULK1 285/4885PAK4 477/4885PAK1 516/4885
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A ULK1 1033/4885PAK4 720/4885PAK1 588/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A ULK1 849/4885PAK4 364/4885PAK1 479/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 ULK1 434/4885PAK4 324/4885PAK1 335/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ULK1 1513/4885PAK4 734/4885PAK1 746/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 ULK1 1886/4885PAK4 973/4885PAK1 702/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ULK1 618/4885PAK4 466/4885PAK1 465/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ULK1 561/4885PAK4 412/4885PAK1 568/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP ULK1 422/4885PAK4 235/4885PAK1 359/4885

“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.