SCHEMBL3449191

SCHEMBL3449191

CCOC(=O)/C=C/c1cccc(-c2cnc(Nc3ccc(F)cc3)nc2N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 1/20 0.43
RAF1 P04049 3/20 0.41
BRAF P15056 3/20 0.41
PRKDC P78527 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAP3K7 O43318 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
STAT6 P42226 2/20 0.41
LCK P06239 2/20 0.41
PTK2 Q05397 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
JAK2 O60674 2/20 0.40
TYK2 P29597 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
SCHEMBL3449193 1.00 NPC1 (0.43) NPC1RAB9ASMN1; SMN2SYKRAF1
SCHEMBL3449094 0.94 MAP3K7 (0.43) NPC1RAB9ASMN1; SMN2SYKRAF1
SCHEMBL3449092 0.94 MAP3K7 (0.43) NPC1RAB9ASMN1; SMN2SYKRAF1
SCHEMBL13311349 0.93 PIM2 (0.45) NPC1RAB9ASMN1; SMN2SYKPRKDC
SCHEMBL3448484 0.92 NPC1 (0.42) NPC1RAB9ASMN1; SMN2SYKRAF1
SCHEMBL3448486 0.92 NPC1 (0.42) NPC1RAB9ASMN1; SMN2SYKRAF1
SCHEMBL3450823 0.91 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SYKRAF1
SCHEMBL3450826 0.91 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SYKRAF1
SCHEMBL13420526 0.91 SYK (0.42) NPC1RAB9ASMN1; SMN2SYKRAF1
SCHEMBL13421207 0.91 MAP3K7 (0.41) NPC1RAB9ASMN1; SMN2SYKRAF1

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.