SCHEMBL12307582

SCHEMBL12307582

CNC(=O)Nc1cc2n(n1)CCN2c1cc(C(=O)OC)cc(-c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ GCK P35557 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GABRG2 P18507 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
SCHEMBL12307584 0.91 P2RY14 (0.35) GRM5GCKPIK3CAALDH1A1
SCHEMBL12307583 0.87 PIK3CA (0.36) NPC1GCKPIK3CAPIK3CBALDH1A1
SCHEMBL12334421 0.84 SYK (0.41) NPC1PIK3CAALDH1A1MAPTHSD17B10
SCHEMBL12307570 0.84 NOTUM (0.35) NPC1GCKALDH1A1KDM4ESMN1; SMN2
SCHEMBL12307398 0.82 GCK (0.40) NPC1GRM5GCKPIK3CAALDH1A1
SCHEMBL12307511 0.79 ALDH1A1 (0.43) NPC1ALDH1A1MAPTHSD17B10RAB9A
SCHEMBL12307587 0.78 PIP5K1C (0.38) NPC1GCKPIK3CAPIK3CBALDH1A1
SCHEMBL12307522 0.77 ALDH1A1 (0.38) NPC1GCKALDH1A1MAPTRAB9A
SCHEMBL12307484 0.77 KMT2A (0.40) NPC1GCKALDH1A1RAB9AKMT2A
SCHEMBL12307586 0.77 KMT2A (0.40) NPC1ALDH1A1MAPTRAB9AKDM4E

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 NPC1 1669/4885GRM5 1849/4885GCK 1876/4885

“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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