SCHEMBL12307713

SCHEMBL12307713

CC(=O)Nc1cc2n(n1)CCN2c1ccc2c(c1)CCN(C)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.38
▸ AOC3 Q16853 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ CYP11B1 P15538 4/20 0.34
▸ CYP11B2 P19099 4/20 0.34
▸ BUB1 O43683 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ BAZ2B Q9UIF8 1/20 0.33
▸ BRD4 O60885 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
SCHEMBL12307774 0.90 GRM5 (0.37) GRM5AOC3MEN1KMT2ACCNT1
SCHEMBL12308024 0.89 GRM5 (0.36) GRM5AOC3MEN1KMT2ACCNT1
SCHEMBL12307919 0.88 S1PR2 (0.36) GRM5AOC3MEN1KMT2ACCNT1
SCHEMBL12307708 0.87 BAZ2B (0.42) MEN1KMT2AHSP90AA1TLR9CYP11B1
SCHEMBL12307760 0.87 GRM5 (0.42) GRM5MEN1KMT2ABRD4OPRD1
SCHEMBL12307959 0.87 FLT3 (0.37) GRM5AOC3BRD4ALDH1A1NPC1
SCHEMBL12307789 0.87 ALDH1A1 (0.41) GRM5KMT2ABUB1ALDH1A1HPGD
SCHEMBL12307820 0.86 ROCK2 (0.39) GRM5CYP11B1CYP11B2BRD4ABL1
SCHEMBL12308001 0.86 GRM5 (0.37) GRM5BRD4NPC1RAB9A
SCHEMBL12307828 0.86 GRM5 (0.41) GRM5MEN1KMT2AGAABRD4

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 GRM5 1849/4885AOC3 4051/4885MEN1 1723/4885

“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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