SCHEMBL12307708

SCHEMBL12307708

CC(=O)Nc1cc2n(n1)CCN2c1ccc2c(c1)CCC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ ACACB O00763 1/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ CSNK1A1 P48729 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
SCHEMBL12307613 0.89 CASP1 (0.34) BAZ2BCASP1CASP7HSD17B10CYP11B2
SCHEMBL12307713 0.87 GRM5 (0.38) BAZ2BHSP90AA1TLR9NPC1RAB9A
SCHEMBL12307718 0.85 GSK3B (0.43) HSP90AA1CDK7MKNK1
SCHEMBL12307772 0.82 CRBN (0.42) —
SCHEMBL12307792 0.82 METAP2 (0.40) CYP1A2GAACYP11B2CYP11B1TYRO3
SCHEMBL12307641 0.81 PBRM1 (0.34) —
SCHEMBL12307742 0.79 PARP1 (0.40) GAA
SCHEMBL12307756 0.78 OGA (0.40) CASP1CASP7HSD17B10GAACYP11B2
SCHEMBL12307565 0.78 MAPT (0.49) HSD17B10NPC1RAB9ACYP3A4GAA
SCHEMBL12307774 0.77 GRM5 (0.37) CYP11B2CYP11B1MEN1KMT2ASMN1; SMN2

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 BAZ2B 434/4885HSP90AA1 3718/4885TLR9 240/4885

“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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