SCHEMBL13879623

SCHEMBL13879623

Cc1cc(/C=C/C(=O)NCCCn2ccnc2)c(Cl)cc1Sc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.57
ICAM1 P05362 3/20 0.57
ITGAL P20701 3/20 0.57
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.47
NAMPT P43490 2/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
QPCT Q16769 1/20 0.43
PLK4 O00444 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
NTRK1 P04629 1/20 0.42
PRKCG P05129 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42

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
SCHEMBL13879616 0.87 ITGB2 (0.59) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL13879620 0.81 ITGB2 (0.48) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL4280124 0.81 GAA (0.44) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL4280122 0.81 GAA (0.44) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL13879627 0.80 ITGB2 (0.58) ITGB2ICAM1ITGALKDM4EHSD17B10
SCHEMBL13879681 0.79 ITGB2 (0.51) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL13879612 0.77 GAA (0.41) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL13879619 0.77 CYP3A4 (0.56) ALDH1A1POLBMAPTKDM4EEGFR
SCHEMBL4280125 0.75 ALDH1A1 (0.58) ITGB2ICAM1ITGALALDH1A1NAMPT
SCHEMBL4280119 0.75 ALDH1A1 (0.58) ITGB2ICAM1ITGALALDH1A1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 ITGB2 4487/4885ICAM1 2947/4885ITGAL 4495/4885

“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.