SCHEMBL12307809

SCHEMBL12307809

CN1CCc2cc(N3CCn4nc(NC(=O)C5CCNC5)cc43)ccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.37
▸ CDK9 P50750 15/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ OPRD1 P41143 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CTSC P53634 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
SCHEMBL12307789 0.91 ALDH1A1 (0.41) GSK3BCTSKCTSC
SCHEMBL12307811 0.88 ITGB3 (0.34) CDK9CCNT1CDK4CCNA2CCND1
SCHEMBL12307980 0.85 SLC5A1 (0.36) CDK9CCNT1CDK4CCNA2CCND1
SCHEMBL12307979 0.85 SLC5A1 (0.36) CDK9CCNT1CDK4CCNA2CCND1
SCHEMBL12307713 0.84 GRM5 (0.38) CDK9CCNT1CDK4CCNA2CCND1
SCHEMBL12307833 0.83 ALDH1A1 (0.41) GSK3B
SCHEMBL12307774 0.82 GRM5 (0.37) CDK9CCNT1CDK4CCNA2CCND1
SCHEMBL12307799 0.82 NPC1 (0.42) —
SCHEMBL12308024 0.82 GRM5 (0.36) CDK9CCNT1CDK4CCNA2CCND1
SCHEMBL12307829 0.81 KCNH2 (0.37) GSK3B

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 270/4885CDK9 185/4885CCNT1 2620/4885

“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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