SCHEMBL12307652

SCHEMBL12307652

CNC(=O)Nc1cc2n(n1)CCN2c1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 9/20 0.40
▸ CA9 Q16790 1/20 0.38
▸ TRPV1 Q8NER1 6/20 0.35
▸ SMYD3 Q9H7B4 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ METAP2 P50579 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
SCHEMBL12307641 0.83 PBRM1 (0.34) —
SCHEMBL12307772 0.82 CRBN (0.42) CRBNMETAP2
SCHEMBL12307613 0.81 CASP1 (0.34) —
SCHEMBL12307614 0.78 GSK3B (0.42) —
SCHEMBL12307774 0.77 GRM5 (0.37) —
SCHEMBL12307527 0.77 ALDH1A1 (0.42) —
SCHEMBL12307398 0.76 GCK (0.40) —
SCHEMBL12307596 0.76 MAPK13 (0.38) —
SCHEMBL12307489 0.76 KMT2A (0.39) —
SCHEMBL12307522 0.76 ALDH1A1 (0.38) CA9

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 CRBN 156/4885CA9 816/4885TRPV1 4629/4885

“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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