SCHEMBL12307609

SCHEMBL12307609

CNC(=O)Nc1cc2n(n1)CCN2c1ccc(F)c(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.39
▸ GCK P35557 6/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ CASR P41180 1/20 0.31
▸ IP6K1 Q92551 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL12307604 0.86 GCK (0.32) GCKNTRK1
SCHEMBL12307588 0.84 GCK (0.38) GCK
SCHEMBL12307572 0.83 ALDH1A1 (0.39) —
SCHEMBL12307522 0.83 ALDH1A1 (0.38) GCKNPC1RAB9A
SCHEMBL12307527 0.82 ALDH1A1 (0.42) NPC1RAB9A
SCHEMBL12307398 0.82 GCK (0.40) GCKGRM5NTRK1NPC1RAB9A
SCHEMBL12307489 0.81 KMT2A (0.39) NPC1RAB9A
SCHEMBL12307511 0.81 ALDH1A1 (0.43) TTRCYP3A4NPC1RAB9A
SCHEMBL12307596 0.79 MAPK13 (0.38) GCKCYP3A4NPC1RAB9A
SCHEMBL12307550 0.79 GCK (0.36) GCK

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 TTR 4822/4885GCK 1876/4885CYP3A4 1965/4885

“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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