SCHEMBL3448484

SCHEMBL3448484

CCOC(=O)/C=C/c1cccc(-c2cnc(Nc3ccc(F)c(C)c3)nc2N2CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SYK P43405 3/20 0.41
BTK Q06187 2/20 0.41
EGFR P00533 2/20 0.41
RAF1 P04049 4/20 0.41
BRAF P15056 4/20 0.41
PRKDC P78527 1/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
LRRK2 Q5S007 2/20 0.40
CSF1R P07333 1/20 0.39
PTK2 Q05397 1/20 0.38
STAT6 P42226 1/20 0.38

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
SCHEMBL3448486 1.00 NPC1 (0.42) NPC1RAB9ASMN1; SMN2SYKBTK
SCHEMBL13420526 0.94 SYK (0.42) NPC1RAB9ASMN1; SMN2SYKBTK
SCHEMBL3448026 0.93 NPC1 (0.41) NPC1RAB9ASMN1; SMN2SYKBTK
SCHEMBL13310949 0.93 BTK (0.44) NPC1RAB9ASMN1; SMN2SYKBTK
SCHEMBL13311549 0.93 NPC1 (0.41) NPC1RAB9ASMN1; SMN2SYKBTK
SCHEMBL3448029 0.93 NPC1 (0.41) NPC1RAB9ASMN1; SMN2SYKBTK
SCHEMBL13311399 0.92 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SYKBTK
SCHEMBL3450099 0.92 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SYKBTK
SCHEMBL3449191 0.92 NPC1 (0.43) NPC1RAB9ASMN1; SMN2SYKBTK
SCHEMBL3449193 0.92 NPC1 (0.43) NPC1RAB9ASMN1; SMN2SYKBTK

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 4 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
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.