SCHEMBL21715684

SCHEMBL21715684

CCCC(C)c1ccc2c(n1)NCCC2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.40
ITGB6 P18564 5/20 0.40
ITGB3 P05106 15/20 0.40
CXCR4 P61073 1/20 0.38
ITGA2B P08514 1/20 0.36
ITGB5 P18084 1/20 0.36
ITGB8 P26012 1/20 0.36

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
SCHEMBL8354537 0.87 ITGAV (0.41) ITGAVITGB6ITGB3CXCR4ITGB8
SCHEMBL21715687 0.84 ITGAV (0.39) ITGAVITGB6ITGB3CXCR4ITGB5
SCHEMBL279379 0.82 CXCR4 (0.42) ITGAVITGB6ITGB3CXCR4ITGA2B
SCHEMBL4762028 0.80 ITGB3 (0.50) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL19544248 0.77 CXCR4 (0.39) ITGAVITGB6ITGB3CXCR4ITGA2B
SCHEMBL325378 0.75 CXCR4 (0.39) ITGAVITGB6ITGB3CXCR4ITGA2B
SCHEMBL4530325 0.74 ITGAV (0.43) ITGAVITGB6ITGB3CXCR4ITGA2B
SCHEMBL7435472 0.74 ITGAV (0.54) ITGAVITGB6ITGB3
SCHEMBL7797597 0.73 ITGAV (0.51) ITGAVITGB6ITGB3CXCR4ITGA2B
SCHEMBL28337166 0.73 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US disclosed
US-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS PHARMAKEA, INC. 2020-02-13 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 (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-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS BAX, BAD, BCL2 ITGAV 4843/4885ITGB6 4504/4885ITGB3 4646/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 ITGAV 4843/4885ITGB6 4504/4885ITGB3 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.