SCHEMBL7797597

SCHEMBL7797597

CCCc1ccc2c(n1)NCCC2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 15/20 0.51
ITGB3 P05106 13/20 0.51
ITGB5 P18084 1/20 0.48
CXCR4 P61073 5/20 0.48
ITGB6 P18564 2/20 0.47
ITGA2B P08514 3/20 0.47

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
SCHEMBL13833866 0.91 ITGAV (0.56) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL30336058 0.91 ITGAV (0.56) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL12807006 0.89 ITGAV (0.58) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL21766819 0.88 ITGAV (0.60) ITGAVITGB3ITGB5ITGB6
SCHEMBL12895016 0.87 ITGAV (0.47) ITGAVITGB3ITGB5CXCR4ITGB6
SCHEMBL4718031 0.86 ITGAV (0.51) ITGAVITGB3ITGB5CXCR4ITGB6
SCHEMBL4714404 0.85 ITGB3 (0.52) ITGAVITGB3ITGB5CXCR4ITGB6
SCHEMBL1827947 0.85 ITGAV (0.54) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL23426185 0.84 ITGAV (0.51) ITGAVITGB3ITGB5CXCR4ITGB6
SCHEMBL5849898 0.84 ITGB3 (0.51) ITGAVITGB3ITGB5CXCR4ITGB6

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3908288-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF HIF-2 ALPHA (EPAS1), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2021-11-17 EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
EP-3784269-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF Arrowhead Pharmaceuticals, Inc. (US) 2021-03-03 EP disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
WO-2020210404-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS PLIANT THERAPEUTICS, INC. (US) 2020-10-15 WO disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
WO-2020146521-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF HIF-2 ALPHA (EPAS1), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2020-07-16 WO disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018049068-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2018-03-15 WO disclosed
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 (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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ITGAV 1/4885ITGB3 3/4885ITGB5 4/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ITGAV 1/4885ITGB3 3/4885ITGB5 4/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV ITGAV 3/4885ITGB3 1/4885ITGB5 5/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ITGAV 2679/4885ITGB3 2099/4885ITGB5 1137/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 ITGAV 1/4885ITGB3 3/4885ITGB5 4/4885

“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.