SCHEMBL12307718

SCHEMBL12307718

CC(=O)Nc1cc2n(n1)CCN2c1ccc2c(c1)CCNC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.43
▸ OGA O60502 2/20 0.41
▸ PARP10 Q53GL7 6/20 0.40
▸ PARP11 Q9NR21 6/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ MAPKAPK2 P49137 3/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ 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
▸ CDK7 P50613 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ MNAT1 P51948 1/20 0.35

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
SCHEMBL12307614 0.90 GSK3B (0.42) GSK3BOGAPARP10PARP11MKNK1
SCHEMBL12307708 0.85 BAZ2B (0.42) MKNK1HSP90AA1CDK7
SCHEMBL12307713 0.84 GRM5 (0.38) HSP90AA1CCNT1CDK4CCNA2CCND1
SCHEMBL12307742 0.82 PARP1 (0.40) GSK3BOGAPIK3C3
SCHEMBL12307756 0.81 OGA (0.40) GSK3BOGAPIK3C3
SCHEMBL12307772 0.79 CRBN (0.42) OGA
SCHEMBL12307792 0.77 METAP2 (0.40) —
SCHEMBL12307613 0.76 CASP1 (0.34) MKNK1
SCHEMBL12307565 0.74 MAPT (0.49) CDK7
SCHEMBL12307774 0.74 GRM5 (0.37) CCNT1CDK4CCNA2CCND1CDK2

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 GSK3B 270/4885OGA 4101/4885PARP10 4402/4885

“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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