SCHEMBL12334420

SCHEMBL12334420

Cc1cccc(N2CCn3nc(NC(=O)NCCC(=O)O)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ PTGS1 P23219 2/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPK13 O15264 2/20 0.35
▸ MAPK12 P53778 2/20 0.35
▸ MAPK11 Q15759 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL12307639 0.90 KMT2A (0.44) PTGS1EPHX2PTGS2GCGRKMT2A
SCHEMBL12334409 0.84 SMN1; SMN2 (0.37) KMT2AMEN1ALDH1A1MAPK13MAPK12
SCHEMBL12334181 0.83 MAPK13 (0.51) KMT2AMEN1ALDH1A1MAPK13MAPK12
SCHEMBL12334182 0.80 PARP1 (0.38) KMT2AALDH1A1MAPTHSD17B10ADORA2A
SCHEMBL12308021 0.79 ITGB3 (0.35) ITGB3ITGAVPTGS1EPHX2PTGS2
SCHEMBL12307560 0.79 ITGB3 (0.39) ITGB3ITGAVPTGS1EPHX2PTGS2
SCHEMBL12307635 0.78 KMT2A (0.40) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL12307669 0.77 POLB (0.39) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL12307576 0.76 ITGB3 (0.38) ITGB3KMT2AMEN1ALDH1A1MAPK14
SCHEMBL12307552 0.75 PPID (0.45) ALDH1A1LMNAHSD17B10

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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — 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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R5, PIK3R4, PIK3R1 ITGB3 3067/4885ITGAV 4040/4885PTGS1 1000/4885

“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.

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