SCHEMBL5849909

SCHEMBL5849909

N#CCCc1ccc2c(n1)NCCC2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 15/20 0.48
ITGB3 P05106 14/20 0.48
ITGB6 P18564 5/20 0.46
ITGB5 P18084 5/20 0.46
ITGB8 P26012 3/20 0.46
CXCR4 P61073 5/20 0.45
ITGA2B P08514 1/20 0.45
ITGB1 P05556 1/20 0.43

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
SCHEMBL5848885 0.92 ITGAV (0.52) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL19514883 0.91 ITGAV (0.39) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL4714404 0.81 ITGB3 (0.52) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL6896978 0.81 ITGAV (0.55) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL23426185 0.80 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL8348087 0.80 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7797597 0.80 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5CXCR4
SCHEMBL1815095 0.80 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL5849898 0.80 ITGB3 (0.51) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL6221546 0.80 ITGB3 (0.51) ITGAVITGB3ITGB6ITGB5ITGB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-7115596-B2 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2006-10-03 US disclosed
EP-1572690-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 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 (2 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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 ITGAV 2/4885ITGB3 12/4885ITGB6 13/4885
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGAL ITGAV 5/4885ITGB3 4/4885ITGB6 11/4885

“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.