SCHEMBL13311467

SCHEMBL13311467

CCOC(=O)COc1ccc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ EGFR P00533 4/20 0.47
▸ SYK P43405 3/20 0.44
▸ AXL P30530 1/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ PTK2 Q05397 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40

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
SCHEMBL13311510 0.92 SYK (0.49) NPC1RAB9ASMN1; SMN2EGFRSYK
SCHEMBL3449798 0.90 NPC1 (0.49) NPC1RAB9ASMN1; SMN2EGFRSYK
SCHEMBL3449190 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2SYKAXL
SCHEMBL3449187 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2EGFRSYK
SCHEMBL3448122 0.84 P2RY12 (0.46) NPC1RAB9ASMN1; SMN2EGFRAURKA
SCHEMBL13311509 0.82 SYK (0.52) NPC1RAB9ASMN1; SMN2EGFRSYK
SCHEMBL13312648 0.82 NPC1 (0.41) NPC1RAB9ASMN1; SMN2EGFRAXL
SCHEMBL3448696 0.82 MMP13 (0.46) NPC1RAB9ASMN1; SMN2SYKJAK3
SCHEMBL13310949 0.82 BTK (0.44) NPC1RAB9ASMN1; SMN2EGFRSYK
SCHEMBL3449110 0.81 SYK (0.51) NPC1RAB9ASMN1; SMN2EGFRSYK

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 3 patents. 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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 — — WO 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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