SCHEMBL9104641

SCHEMBL9104641

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

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.80
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
ALOX5 P09917 5/20 0.46
PTGS1 P23219 2/20 0.45
PTGS2 P35354 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CCKAR P32238 6/20 0.43
ADRB1 P08588 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
KHK P50053 1/20 0.40
KDM1A O60341 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
SCHEMBL9103873 0.92 ILK (0.80) ILKRXRARXRBRXRGALOX5
SCHEMBL9102839 0.90 ILK (0.76) ILKRXRARXRBRXRGCA1
SCHEMBL8536228 0.89 ILK (1.00) ILKRXRARXRBRXRGALOX5
SCHEMBL17085100 0.84 ILK (0.59) ILKRXRARXRBRXRGALOX5
SCHEMBL8533755 0.84 ILK (0.68) ILKCA1CA2CA9MALT1
SCHEMBL17085060 0.81 ILK (0.55) ILKRXRARXRBRXRGALOX5
SCHEMBL17085049 0.81 ILK (0.55) ILKRXRARXRBRXRGALOX5
SCHEMBL17085078 0.80 ILK (0.54) ILKRXRARXRBRXRGALOX5
SCHEMBL8612124 0.80 ILK (0.84) ILKRXRARXRBRXRGALOX5
SCHEMBL17085075 0.80 ILK (0.53) ILKRXRARXRBRXRGALOX5

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 4 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
CN-103298344-A Integrin-linked kinase inhibitors UNIV OHIO STATE RES FOUND 2013-09-11 CN 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.