SCHEMBL12307610

SCHEMBL12307610

CNC(=O)Nc1cc2n(n1)CCN2c1ccc2cnccc2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRMT3 O60678 10/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ PHGDH O43175 1/20 0.39
▸ IMPDH2 P12268 4/20 0.39
▸ DDX3X O00571 1/20 0.38
▸ MAP4K1 Q92918 2/20 0.36
▸ CYP19A1 P11511 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
SCHEMBL12307709 0.89 PHGDH (0.40) PRMT3PHGDHIMPDH2DDX3XCYP19A1
SCHEMBL12307596 0.87 MAPK13 (0.38) PHGDH
SCHEMBL12307566 0.84 GRM5 (0.35) ABL1MAP4K1
SCHEMBL12307501 0.83 HDAC1 (0.41) PHGDH
SCHEMBL12307597 0.80 PLK1 (0.43) ABL1
SCHEMBL12307539 0.79 MEN1 (0.42) —
SCHEMBL12307717 0.79 POLB (0.43) PRMT3IMPDH2MAP4K1
SCHEMBL12307527 0.79 ALDH1A1 (0.42) —
SCHEMBL12307500 0.79 GCK (0.42) —
SCHEMBL12307398 0.79 GCK (0.40) —

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 PRMT3 1580/4885ABL1 327/4885PHGDH 1943/4885

“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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