SCHEMBL12334409

SCHEMBL12334409

CNC(=O)Nc1cc2n(n1)CCN2c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL12307489 0.89 KMT2A (0.39) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL12307530 0.88 MEN1 (0.34) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL12307398 0.88 GCK (0.40) SMN1; SMN2ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL12334181 0.88 MAPK13 (0.51) SMN1; SMN2ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL12307586 0.86 KMT2A (0.40) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL12307511 0.86 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL12307484 0.86 KMT2A (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL12307611 0.85 DRD2 (0.37) —
SCHEMBL12334420 0.84 ITGB3 (0.40) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL12307576 0.84 ITGB3 (0.38) ALDH1A1MAPK14MEN1KMT2AKDM4E

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 1 patent. 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

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 SMN1; SMN2 3905/4885CA12 3284/4885CA1 2941/4885

“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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