SCHEMBL13348486

SCHEMBL13348486

CNc1cc(C(=O)O)cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2N2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ JAK2 O60674 4/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ MTOR P42345 2/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SYK P43405 3/20 0.41
▸ SCN9A Q15858 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
SCHEMBL3449885 0.89 TDO2 (0.46) CSNK2A1SMN1; SMN2NPC1RAB9AJAK2
SCHEMBL3450200 0.88 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AJAK2FLT3
SCHEMBL3350710 0.88 BTK (0.43) SMN1; SMN2NPC1RAB9AJAK2FLT3
SCHEMBL3451095 0.88 MEN1 (0.49) SMN1; SMN2NPC1RAB9AJAK2FLT3
SCHEMBL3451209 0.87 MAPK9 (0.40) SMN1; SMN2NPC1RAB9AJAK2FLT3
SCHEMBL3451632 0.83 TDO2 (0.47) SMN1; SMN2NPC1RAB9AJAK2FLT3
SCHEMBL3451664 0.82 MAPK1 (0.46) CSNK2A1SMN1; SMN2NPC1RAB9AJAK2
SCHEMBL3447594 0.81 JAK2 (0.45) CSNK2A1SMN1; SMN2NPC1RAB9AJAK2
SCHEMBL3450398 0.81 PIK3CA (0.41) SMN1; SMN2NPC1RAB9AJAK2FLT3
SCHEMBL3450635 0.81 SYK (0.41) SMN1; SMN2NPC1RAB9AJAK2FLT3

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-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 CSNK2A1 1858/4885SMN1; SMN2 3328/4885NPC1 603/4885

“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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