SCHEMBL12307527

SCHEMBL12307527

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.39
▸ BRD4 O60885 5/20 0.38
▸ BRD2 P25440 5/20 0.38
▸ BRD3 Q15059 3/20 0.38
▸ MALT1 Q9UDY8 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ PYGL P06737 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
SCHEMBL12307489 0.89 KMT2A (0.39) ALDH1A1NPC1MAPTSMN1; SMN2RAB9A
SCHEMBL12307398 0.88 GCK (0.40) ALDH1A1NPC1MAPTSMN1; SMN2RAB9A
SCHEMBL12307522 0.87 ALDH1A1 (0.38) ALDH1A1TP53BRD4BRD2BRD3
SCHEMBL12307566 0.86 GRM5 (0.35) SMN1; SMN2
SCHEMBL12307581 0.86 BRD4 (0.38) ALDH1A1BRD4BRD2SMN1; SMN2KMT2A
SCHEMBL12307539 0.86 MEN1 (0.42) ALDH1A1TP53MALT1NPC1MAPT
SCHEMBL12307510 0.85 AOC3 (0.40) ALDH1A1MAPTRAB9AKMT2A
SCHEMBL12307589 0.84 F10 (0.36) ALDH1A1BRD4BRD2BRD3SMN1; SMN2
SCHEMBL12307596 0.82 MAPK13 (0.38) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL12307609 0.82 TTR (0.39) NPC1RAB9A

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 ALDH1A1 3559/4885TP53 342/4885BRD4 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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