SCHEMBL13312645

SCHEMBL13312645

COC(=O)c1cc2ccc(-c3cnc(Nc4ccc(F)c(Cl)c4)nc3N3CCOCC3)cc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ JAK2 O60674 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ MTOR P42345 3/20 0.40
▸ BCL6 P41182 1/20 0.40
▸ MAPK9 P45984 2/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ AXL P30530 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ EGFR P00533 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39

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
SCHEMBL13348200 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2JAK2MTOR
SCHEMBL13312648 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2JAK2PIK3CD
SCHEMBL3451598 0.85 NPC1 (0.45) NPC1RAB9ASMN1; SMN2JAK2PIK3CD
SCHEMBL3348458 0.84 NPC1 (0.49) NPC1RAB9ASMN1; SMN2JAK2MTOR
SCHEMBL3450063 0.82 NPC1 (0.45) NPC1RAB9ASMN1; SMN2JAK2PIK3CD
SCHEMBL3449190 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2JAK2PIK3CD
SCHEMBL3449187 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2JAK2MTOR
SCHEMBL3450398 0.79 PIK3CA (0.41) NPC1RAB9ASMN1; SMN2JAK2PIK3CD
SCHEMBL13312638 0.79 STK17A (0.47) JAK2BCL6AXLEGFRSYK
SCHEMBL3456615 0.79 NPC1 (0.56) NPC1RAB9ASMN1; SMN2JAK2BCL6

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD NPC1 603/4885RAB9A 2449/4885SMN1; SMN2 3328/4885

“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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