SCHEMBL9102839

SCHEMBL9102839

CNC(=O)CCc1cc(-c2ccc(-c3ccc(C#N)cc3)cc2)n(-c2ccc(N3CCNCC3)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.76
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KDM1A O60341 12/20 0.44
EGLN2 Q96KS0 1/20 0.41
MAPKAPK2 P49137 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL9104641 0.90 ILK (0.80) ILKRXRARXRBRXRGCA1
SCHEMBL9103873 0.90 ILK (0.80) ILKRXRARXRBRXRGCA1
SCHEMBL8536228 0.86 ILK (1.00) ILKRXRARXRBRXRGMAPKAPK2
SCHEMBL8533755 0.81 ILK (0.68) ILKCA1CA2CA9MALT1
SCHEMBL8612124 0.78 ILK (0.84) ILKRXRARXRBRXRGMAPKAPK2
SCHEMBL17085100 0.75 ILK (0.59) ILKRXRARXRBRXRGCA1
SCHEMBL17087637 0.73 ILK (0.74) ILKRXRARXRBRXRG
SCHEMBL17077247 0.73 ILK (0.75) ILKRXRARXRBRXRG
SCHEMBL17085060 0.72 ILK (0.55) ILKRXRARXRBRXRGCA1
SCHEMBL17085049 0.71 ILK (0.55) ILKRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642856-B1 INTEGRIN-LINKED KINASE INHIBITORS UNIV OHIO STATE RES FOUND (US) 2017-07-19 EP disclosed
US-8658647-B2 Integrin-linked kinase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-02-25 US disclosed
US-20120142702-A1 INTEGRIN-LINKED KINASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-07 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 (1 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-20120142702-A1 INTEGRIN-LINKED KINASE INHIBITORS PTK2, ITGB1, ITGB2 ILK 8/4885RXRA 3080/4885RXRB 2438/4885

“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.