SCHEMBL12307539

SCHEMBL12307539

CNC(=O)Nc1cc2n(n1)CCN2c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ JAK1 P23458 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL12307484 0.89 KMT2A (0.40) MEN1KMT2AJAK1CYP2C9NPC1
SCHEMBL12307500 0.88 GCK (0.42) —
SCHEMBL12307527 0.86 ALDH1A1 (0.42) KMT2AMAPTNPC1ALDH1A1RAB9A
SCHEMBL12307398 0.85 GCK (0.40) MEN1KMT2AGRM5L3MBTL1MAPT
SCHEMBL12307522 0.85 ALDH1A1 (0.38) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL12307566 0.84 GRM5 (0.35) GRM5CYP2C9SMN1; SMN2
SCHEMBL12307581 0.84 BRD4 (0.38) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL12307588 0.84 GCK (0.38) —
SCHEMBL12307568 0.83 TP53 (0.38) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL12307572 0.83 ALDH1A1 (0.39) L3MBTL1MAPTKDM4EALDH1A1TP53

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 MEN1 1723/4885KMT2A 2170/4885GRM5 1849/4885

“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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