SCHEMBL12307560

SCHEMBL12307560

O=C(O)CNC(=O)Nc1cc2n(n1)CCN2c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ PTGS1 P23219 2/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK13 O15264 2/20 0.35
▸ MAPK12 P53778 2/20 0.35
▸ MAPK11 Q15759 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ NTRK1 P04629 3/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL12307552 0.86 PPID (0.45) ALDH1A1LMNAKDM4ETP53
SCHEMBL12307557 0.84 TSHR (0.45) EPHX2LMNAKMT2ASMN1; SMN2MAPK13
SCHEMBL12307398 0.84 GCK (0.40) ALDH1A1KMT2ASMN1; SMN2MAPK13MAPK12
SCHEMBL12307565 0.81 MAPT (0.49) ALDH1A1LMNAKMT2ASMN1; SMN2ADORA3
SCHEMBL12307639 0.80 KMT2A (0.44) PTGS1EPHX2PTGS2ALDH1A1LMNA
SCHEMBL12307559 0.80 SMN1; SMN2 (0.45) ALDH1A1LMNAKMT2ASMN1; SMN2ADORA3
SCHEMBL12308000 0.79 GRM5 (0.36) ITGB3KMT2A
SCHEMBL12334420 0.79 ITGB3 (0.40) ITGB3ITGAVPTGS1EPHX2PTGS2
SCHEMBL12307634 0.77 KMT2A (0.52) ALDH1A1LMNAKMT2AMAPTNPC1
SCHEMBL12307576 0.76 ITGB3 (0.38) ITGB3ALDH1A1KMT2AMAPK14MAPT

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
US-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — US disclosed
US-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — US disclosed
EP-2327704-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY Shionogi&Co., Ltd. (JP) 2011-06-01 — — EP 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 3067/4885ITGB1 3263/4885ITGAV 4040/4885

“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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