SCHEMBL9105407

SCHEMBL9105407

CCNC(=O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)CCN)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.56
EPHX2 P34913 4/20 0.56
PTGS1 P23219 3/20 0.56
CHRNA7 P36544 1/20 0.51
MALT1 Q9UDY8 6/20 0.49
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
PDPK1 O15530 1/20 0.45
AKR1C3 P42330 1/20 0.44
ILK Q13418 1/20 0.44
CACNA1G O43497 1/20 0.43
CACNA1H O95180 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
SCHEMBL9098983 0.91 PTGS2 (0.58) PTGS2EPHX2PTGS1CHRNA7MALT1
SCHEMBL9100132 0.89 PTGS2 (0.56) PTGS2EPHX2PTGS1CHRNA7MALT1
SCHEMBL9100491 0.86 ILK (0.56) PTGS2EPHX2PTGS1CHRNA7MALT1
SCHEMBL8537811 0.85 CHRNA7 (0.57) PTGS2EPHX2PTGS1CHRNA7MALT1
SCHEMBL9105969 0.80 ILK (0.67) PTGS2EPHX2PTGS1CHRNA7MAPT
SCHEMBL8536452 0.80 CA9 (0.57) PTGS2EPHX2PTGS1CHRNA7MALT1
SCHEMBL9102404 0.78 ILK (0.55) PTGS2EPHX2PTGS1CHRNA7MAPT
SCHEMBL9101594 0.78 ILK (0.64) PTGS2EPHX2PTGS1CHRNA7MALT1
SCHEMBL8534003 0.77 MALT1 (0.55) PTGS2EPHX2PTGS1CHRNA7MALT1
SCHEMBL16196652 0.75 PDPK1 (0.62) PTGS2EPHX2PTGS1MALT1ALDH1A1

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 PTGS2 2751/4885EPHX2 3969/4885PTGS1 2318/4885

“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.