SCHEMBL3449456

SCHEMBL3449456

CC(=O)Oc1cccc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2N2CCOCC2)c1

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
▸ BTK Q06187 3/20 0.46
▸ SYK P43405 3/20 0.46
▸ PIK3CA P42336 1/20 0.45
▸ JAK2 O60674 2/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ PKMYT1 Q99640 2/20 0.42
▸ AURKA O14965 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41

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
SCHEMBL3449452 0.92 NPC1 (0.46) NPC1RAB9ASMN1; SMN2BTKSYK
SCHEMBL3449190 0.91 NPC1 (0.52) NPC1RAB9ASMN1; SMN2BTKSYK
SCHEMBL13311509 0.91 SYK (0.52) NPC1RAB9ASMN1; SMN2BTKSYK
SCHEMBL3449110 0.88 SYK (0.51) NPC1RAB9ASMN1; SMN2BTKSYK
SCHEMBL13311510 0.86 SYK (0.49) NPC1RAB9ASMN1; SMN2BTKSYK
SCHEMBL3449187 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2BTKSYK
SCHEMBL3451095 0.85 MEN1 (0.49) NPC1RAB9ASMN1; SMN2BTKPIK3CA
SCHEMBL3348458 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2BTKSYK
SCHEMBL3447477 0.82 PIM2 (0.48) NPC1RAB9ASMN1; SMN2BTKSYK
SCHEMBL3447480 0.82 PIM2 (0.48) NPC1RAB9ASMN1; SMN2BTKSYK

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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