SCHEMBL279379

SCHEMBL279379

CC(C)c1ccc2c(n1)NCCC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.42
ITGAV P06756 15/20 0.39
ITGB3 P05106 14/20 0.39
ITGA2B P08514 1/20 0.38
UHRF1 Q96T88 1/20 0.38
ITGB5 P18084 4/20 0.35
ITGB6 P18564 4/20 0.35
ITGB8 P26012 3/20 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
SCHEMBL19544248 0.95 CXCR4 (0.39) CXCR4ITGAVITGB3ITGA2BUHRF1
SCHEMBL12572838 0.89 CXCR4 (0.34) CXCR4ITGAVITGB3ITGA2B
SCHEMBL325378 0.82 CXCR4 (0.39) CXCR4ITGAVITGB3ITGA2BITGB5
SCHEMBL21715684 0.82 ITGAV (0.40) CXCR4ITGAVITGB3ITGA2BITGB5
SCHEMBL4530325 0.82 ITGAV (0.43) CXCR4ITGAVITGB3ITGA2BITGB5
SCHEMBL8354537 0.80 ITGAV (0.41) CXCR4ITGAVITGB3ITGB6ITGB8
SCHEMBL4762028 0.78 ITGB3 (0.50) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL16668608 0.78 CXCR4 (0.36) CXCR4ITGAVITGB3ITGA2BITGB5
SCHEMBL19056917 0.78 SRC (0.32) CXCR4
SCHEMBL21715687 0.77 ITGAV (0.39) CXCR4ITGAVITGB3ITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 US disclosed
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-11795167-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-10-24 US disclosed
US-11795167-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-10-24 US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed
US-8133896-B2 Pyrimidine derivatives which are antagonist of the vitronectin receptor GALAPAGOS NV (BE) 2012-03-13 US disclosed
WO-2011060395-A1 CYCLIC UREAS USEFUL AS HIV INHIBITORS SCHERING CORPORATION (US) 2011-05-19 WO disclosed
US-20110039867-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONIST OF THE VITRONECTIN RECEPTOR GALAPAGOS SAS 2011-02-17 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester LU TIANBO 2007-09-20 US disclosed
US-7241789-B2 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) 2007-07-10 US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 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 (10 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-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester ITGA5, ADGRE5, ITGAV CXCR4 45/4885ITGAV 3/4885ITGB3 10/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B CXCR4 2520/4885ITGAV 17/4885ITGB3 6/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CXCR4 2552/4885ITGAV 574/4885ITGB3 454/4885
US-20110039867-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONIST OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 CXCR4 112/4885ITGAV 492/4885ITGB3 273/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL CXCR4 1019/4885ITGAV 4/4885ITGB3 9/4885
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV CXCR4 429/4885ITGAV 3/4885ITGB3 12/4885
US-11795167-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV CXCR4 470/4885ITGAV 3/4885ITGB3 11/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CXCR4 55/4885ITGAV 4/4885ITGB3 6/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL CXCR4 1019/4885ITGAV 4/4885ITGB3 9/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 CXCR4 3989/4885ITGAV 4843/4885ITGB3 4646/4885

“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.