SCHEMBL12307482

SCHEMBL12307482

CCOC(=O)CNC(=O)Nc1cc2n(n1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ PPID Q08752 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PPIB P23284 1/20 0.34
▸ PPIA P62937 1/20 0.34
▸ PPIG Q13427 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AVPR2 P30518 1/20 0.33
▸ CCNC P24863 1/20 0.32

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
SCHEMBL12307483 0.89 KEAP1 (0.33) KDM4ECCNCCDK8
SCHEMBL12532989 0.88 KEAP1 (0.32) POLBTSHRCCNCCDK8
SCHEMBL12307395 0.82 GCK (0.35) ALDH1A1SMN1; SMN2
SCHEMBL12307437 0.82 PPID (0.43) NLRP3ALDH1A1KDM4EHTTLMNA
SCHEMBL12307554 0.80 PIK3CG (0.36) MAPT
SCHEMBL12307552 0.78 PPID (0.45) NLRP3ALDH1A1KDM4EHTTLMNA
SCHEMBL12307448 0.74 GRM5 (0.32) SMN1; SMN2
SCHEMBL798568 0.73 TP53 (0.41) KDM4ELMNATP53MAPTSMN1; SMN2
SCHEMBL12307971 0.70 NLRP3 (0.39) NLRP3ALDH1A1KDM4EHTTLMNA
SCHEMBL22074956 0.70 ESR2 (0.36) KDM4EHTTLMNAPOLBMAPT

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 NLRP3 390/4885ALDH1A1 3559/4885KDM4E 1658/4885

“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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