SCHEMBL279665

SCHEMBL279665

Cc1ccc2c(n1)NCCC2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.53
ITGB3 P05106 11/20 0.39
ITGAV P06756 11/20 0.39
CXCR4 P61073 5/20 0.37
ITGB5 P18084 5/20 0.37
ITGB6 P18564 4/20 0.37
ITGB8 P26012 4/20 0.37
ITGA2B P08514 3/20 0.36
CACNA2D1 P54289 1/20 0.35
NNMT P40261 1/20 0.35

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
SCHEMBL30474583 1.00 UHRF1 (0.53) UHRF1ITGB3ITGAVCXCR4ITGB5
SCHEMBL6060377 0.94 UHRF1 (0.47) UHRF1ITGB3ITGAVCXCR4ITGB5
SCHEMBL279310 0.88 UHRF1 (0.43) UHRF1NNMT
SCHEMBL18202389 0.77 ITGB3 (0.39) UHRF1ITGB3ITGAVCXCR4ITGB5
SCHEMBL21284330 0.77 ITGB3 (0.41) UHRF1ITGB3ITGAVCXCR4ITGB5
SCHEMBL1810290 0.77 ITGB3 (0.39) UHRF1ITGB3ITGAVCXCR4ITGB5
SCHEMBL8168165 0.77 ITGAV (0.39) UHRF1ITGB3ITGAVCXCR4ITGB5
SCHEMBL6322003 0.77 UHRF1 (0.34) UHRF1
SCHEMBL14419571 0.77 ITGAV (0.38) UHRF1ITGB3ITGAVCXCR4ITGB5
SCHEMBL12158643 0.77 ITGB3 (0.36) UHRF1ITGB3ITGAVCXCR4ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104402934-B Preparation method and application of 2-(diphenylphosphineethyl)-(5,6,7,8-tetrahydroquinolinyl)amine ruthenium complexes 河北师范大学 2017-01-25 CN claimed
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
WO-2024137502-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 WO disclosed
WO-2024091894-A1 PNU ANTHRACYCLINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-05-02 WO disclosed
WO-2024092069-A1 CXCR4 INHIBITORS FOR TREATMENT OF NEUROLOGICAL DISEASES X4 PHARMACEUTICALS, INC. (US) 2024-05-02 WO disclosed
WO-2024083086-A1 BICYCLIC DERIVATIVE INTEGRIN INHIBITOR 上海如凌生物医药有限公司 2024-04-25 WO disclosed
CN-117903171-A Integrin inhibitors of a class of bicyclic derivatives 上海如凌生物医药有限公司 2024-04-19 CN disclosed
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20020081626-A1 Methods and kits for the detection of arginine compounds FAL DIAGNOSTICS 2002-06-27 US disclosed
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-06-20 US disclosed
US-20020072518-A1 For therapy tumor metastasis, tumor growth, solid tumor growth, angiogenesis, osteoporosis, humoral hypercalcemia of malignancy, smooth muscle cell migration, restenosis, atheroscelorosis, macular degeneration, retinopathy PHARMACIA CORPORATION 2002-06-13 US disclosed
WO-2002018377-A1 COMPOUNDS CONTAINING A BICYCLIC RING SYSTEM USEFUL AS ALPHA V BETA 3 ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 WO disclosed
WO-2002004465-A1 METHODS AND KITS FOR THE DETECTION OF ARGININE COMPOUNDS FAL DIAGNOSTICS (US) 2002-01-17 WO disclosed
WO-2001096307-A2 CYCLOALKYL ALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed
US-4739063-A USING CATALYST PHILLIPS PETROLEUM COMPANY (US) 1988-04-19 US disclosed
US-4739064-A USING GROUP 8 METAL CATALYSTS AND REACTION MODIFIERS PHILLIPS PETROLEUM COMPANY (US) 1988-04-19 US disclosed
US-4160094-A Tetrahydroquinoline derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-07-03 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 (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-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 UHRF1 2277/4885ITGB3 4156/4885ITGAV 3874/4885
US-20020072518-A1 For therapy tumor metastasis, tumor growth, solid tumor growth, angiogenesis, osteoporosis, humoral hypercalcemia of malignancy, smooth muscle cell migration, restenosis, atheroscelorosis, macular degeneration, retinopathy ITGB1, ITGB5, ITGB3 UHRF1 4733/4885ITGB3 3/4885ITGAV 9/4885
US-20020081626-A1 Methods and kits for the detection of arginine compounds ARGLU1, PRMT5, PRMT3 UHRF1 3354/4885ITGB3 4709/4885ITGAV 4605/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 UHRF1 2226/4885ITGB3 4522/4885ITGAV 4792/4885
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 UHRF1 4827/4885ITGB3 3/4885ITGAV 7/4885

“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.