SCHEMBL12307473

SCHEMBL12307473

CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ AVPR1A P37288 1/20 0.42
▸ CYP2C19 P33261 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ PREP P48147 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ TP53 P04637 3/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL12307457 0.90 TP53 (0.36) ALDH1A1HTTTP53HPGDMEN1
SCHEMBL12307471 0.87 GRM5 (0.37) ALDH1A1TP53SMN1; SMN2
SCHEMBL12307461 0.86 GRM5 (0.44) ELANEALDH1A1TP53HPGDMAPT
SCHEMBL12307391 0.86 GRM5 (0.45) CYP2C19ALDH1A1TP53HPGDMEN1
SCHEMBL12307447 0.85 ALDH1A1 (0.38) CYP2C19TSHRALDH1A1MEN1KMT2A
SCHEMBL12307387 0.81 GRM5 (0.46) AVPR1ATSHRALDH1A1HTTTP53
SCHEMBL12307441 0.81 SMN1; SMN2 (0.38) ALDH1A1TP53SMN1; SMN2
SCHEMBL12307462 0.80 GRM5 (0.38) KDM4E
SCHEMBL12307478 0.80 GRM5 (0.40) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL12307444 0.80 ALDH1A1 (0.41) ELANEALDH1A1KDM4E

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 PLAU 3772/4885ELANE 3695/4885AVPR1A 4774/4885

“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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