SCHEMBL12307611

SCHEMBL12307611

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ GPR119 Q8TDV5 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ NR1H2 P55055 10/20 0.35
▸ NR1H3 Q13133 8/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MLYCD O95822 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ KIF18A Q8NI77 1/20 0.34

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
SCHEMBL12307510 0.89 AOC3 (0.40) —
SCHEMBL12307489 0.86 KMT2A (0.39) —
SCHEMBL12307530 0.85 MEN1 (0.34) DRD2
SCHEMBL12334409 0.85 SMN1; SMN2 (0.37) —
SCHEMBL12307398 0.85 GCK (0.40) —
SCHEMBL12307484 0.83 KMT2A (0.40) —
SCHEMBL12307511 0.83 ALDH1A1 (0.43) TDP1
SCHEMBL12307586 0.83 KMT2A (0.40) TDP1
SCHEMBL12307576 0.81 ITGB3 (0.38) DRD2
SCHEMBL12307596 0.80 MAPK13 (0.38) —

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 DRD2 4859/4885JAK2 25/4885JAK3 35/4885

“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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