SCHEMBL17640902

SCHEMBL17640902

c1cc2c(nc1CC[C@@H]1CCNC1)NCCC2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.52
ITGB6 P18564 3/20 0.52
ITGB3 P05106 18/20 0.50
ITGB5 P18084 18/20 0.50
ITGB1 P05556 2/20 0.49
ITGB8 P26012 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL19384679 1.00 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL20305074 0.99 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL20305071 0.99 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20158336 0.92 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20158231 0.91 ITGAV (0.53) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21767652 0.90 ITGAV (0.53) ITGAVITGB6ITGB3ITGB5
SCHEMBL21767649 0.90 ITGAV (0.53) ITGAVITGB6ITGB3ITGB5
Hydrochloric Acid SCHEMBL21767712 0.89 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5
Hydrochloric Acid SCHEMBL21774677 0.89 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5
Hydrochloric Acid SCHEMBL21767715 0.89 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260048130-A1 ALPHA-V BETA-6 (avb6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS INC (US) 2026-02-19 US disclosed
US-20210122747-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-04-29 US disclosed
US-10696672-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-06-30 US disclosed
EP-3433254-B1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-17 EP disclosed
EP-3433254-B1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-17 EP disclosed
EP-3197894-B1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
EP-3197894-B1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
EP-3197895-B1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF FIBROTIC DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2020-03-11 EP disclosed
CN-107074851-B As αvβ6Naphthyridine derivatives of integrin antagonists for the treatment of e.g. fibrotic diseases 葛兰素史密斯克莱知识产权发展有限公司 2020-01-10 CN disclosed
US-10513517-B2 Naphthyridine derivatives as alpha V beta 6 integrin antagonists for the treatment of E.G. fibrotic diseases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-12-24 US disclosed
US-20170291899-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
US-20170291899-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
US-20170291899-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
WO-2017162570-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-28 WO disclosed
WO-2017162570-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-28 WO disclosed
WO-2016046230-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-31 WO disclosed
WO-2016046241-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-31 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 (6 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-10513517-B2 Naphthyridine derivatives as alpha V beta 6 integrin antagonists for the treatment of E.G. fibrotic diseases ITGB1, ITGB3, ITGA1 ITGAV 4/4885ITGB6 12/4885ITGB3 2/4885
US-20170291899-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES ITGB1, ITGB3, ITGA1 ITGAV 4/4885ITGB6 13/4885ITGB3 2/4885
US-10696672-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 ITGAV 4/4885ITGB6 1/4885ITGB3 13/4885
US-20210122747-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB6 1/4885ITGB3 13/4885
US-20260048130-A1 ALPHA-V BETA-6 (avb6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ITGB6, ITGA6, ITGA2B ITGAV 5/4885ITGB6 1/4885ITGB3 8/4885
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS ITGAV, ITGB6, ITGB1 ITGAV 1/4885ITGB6 2/4885ITGB3 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.