SCHEMBL12307928

SCHEMBL12307928

CN1CCc2cc(N3CCn4nc(NC(=O)c5cccc(O)c5)cc43)ccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ RAB9A P51151 5/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ AKR1C4 P17516 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12307939 0.91 FLT3 (0.39) ROCK2GRM5BRD4BRD2BRD3
SCHEMBL12307938 0.91 RAB9A (0.38) ROCK2GRM5BRD4BRD2BRD3
SCHEMBL12307760 0.91 GRM5 (0.42) ROCK2GRM5BRD4BRD2BRD3
SCHEMBL12307931 0.90 SMN1; SMN2 (0.43) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL12307927 0.89 ALDH1A1 (0.45) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL12307929 0.88 ALDH1A1 (0.42) ROCK2MEN1KMT2AALDH1A1LMNA
SCHEMBL12307959 0.87 FLT3 (0.37) ROCK2GRM5BRD4BRD2BRD3
SCHEMBL12307796 0.87 HDAC1 (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12307930 0.87 STAT3 (0.35) ROCK2GRM5BRD4BRD2BRD3
SCHEMBL12308001 0.86 GRM5 (0.37) ROCK2GRM5BRD4BRD2BRD3

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 ROCK2 490/4885GRM5 1849/4885BRD4 2521/4885

“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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