SCHEMBL12307530

SCHEMBL12307530

CNC(=O)Nc1cc2n(n1)CCN2c1cccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GCK P35557 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ SLC5A1 P13866 2/20 0.32
▸ FYN P06241 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL12307489 0.89 KMT2A (0.39) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL12334409 0.88 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL12307398 0.88 GCK (0.40) MEN1KMT2AGCKALDH1A1SMN1; SMN2
SCHEMBL12307511 0.86 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL12307586 0.86 KMT2A (0.40) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL12307484 0.86 KMT2A (0.40) MEN1KMT2AGCKALDH1A1GAA
SCHEMBL12307611 0.85 DRD2 (0.37) DRD2
SCHEMBL12307576 0.84 ITGB3 (0.38) MEN1KMT2AALDH1A1MAPTDRD2
SCHEMBL12307596 0.83 MAPK13 (0.38) MEN1KMT2AGCKSMN1; SMN2LMNA
SCHEMBL12307501 0.83 HDAC1 (0.41) GCKSMN1; SMN2MAPTDRD2CYP1A2

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 2 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

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 MEN1 1723/4885KMT2A 2170/4885GCK 1876/4885

“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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