SCHEMBL3450163

SCHEMBL3450163

COc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)CCCN4CCOCC4)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
SYK P43405 3/20 0.39
MAPK14 Q16539 2/20 0.39
SRC P12931 2/20 0.39
GSK3A P49840 2/20 0.38
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR4 P22455 2/20 0.38
FGFR3 P22607 2/20 0.38
CSF1R P07333 3/20 0.37
DAPK1 P53355 3/20 0.37
CNR2 P34972 1/20 0.37
KCNH2 Q12809 1/20 0.37
LCK P06239 4/20 0.37
MAPK12 P53778 1/20 0.36
RAF1 P04049 3/20 0.36
BRAF P15056 3/20 0.36
PIK3CA P42336 2/20 0.36
KDR P35968 2/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL3448207 0.94 SYK (0.42) PTGER4SYKMAPK14SRCGSK3A
SCHEMBL3451603 0.89 PTGER4 (0.41) PTGER4SYKMAPK14SRCGSK3A
SCHEMBL3447680 0.88 SCN5A (0.36) SYKDAPK1CNR2LCK
SCHEMBL3449319 0.87 DAPK1 (0.36) SYKDAPK1CNR2LCK
SCHEMBL3448294 0.86 TYRO3 (0.36) SYKMAPK14SRCCSF1RDAPK1
SCHEMBL3450588 0.86 DAPK1 (0.36) SYKDAPK1CNR2LCK
SCHEMBL3449724 0.85 DAPK1 (0.35) SYKDAPK1CNR2LCK
SCHEMBL3450478 0.84 SCN9A (0.40) SYKDAPK1
SCHEMBL3447953 0.84 SYK (0.49) SYKMAPK14SRCGSK3AFGFR1
SCHEMBL3449383 0.84 SYK (0.43) PTGER4SYKMAPK14FGFR1CSF1R

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 PTGER4 549/4885SYK 804/4885MAPK14 1385/4885

“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.