SCHEMBL3451603

SCHEMBL3451603

COc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)CCCN4CCOCC4)c3)c(-n3ccc(C(F)(F)F)n3)n2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
CNR2 P34972 1/20 0.38
SYK P43405 3/20 0.38
CSF1R P07333 3/20 0.37
DAPK1 P53355 3/20 0.37
KCNH2 Q12809 1/20 0.37
FGFR1 P11362 2/20 0.37
MAPK14 Q16539 2/20 0.37
LCK P06239 2/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL3449383 0.94 SYK (0.43) PTGER4SYKCSF1RDAPK1FGFR1
SCHEMBL3450163 0.89 PTGER4 (0.41) PTGER4CNR2SYKCSF1RDAPK1
SCHEMBL3451379 0.88 TYRO3 (0.36) CNR2DAPK1LCKBRAFTYRO3
SCHEMBL3449093 0.88 SYK (0.42) CNR2SYKCSF1RDAPK1KCNH2
SCHEMBL3448548 0.87 TYRO3 (0.37) CNR2DAPK1LCKTYRO3MERTK
SCHEMBL3450528 0.84 SCN9A (0.39) SYKDAPK1TYRO3MERTK
SCHEMBL3448207 0.84 SYK (0.42) PTGER4SYKCSF1RDAPK1FGFR1
SCHEMBL3448756 0.83 TYRO3 (0.37) CNR2SYKDAPK1LCKTYRO3
SCHEMBL3375345 0.82 TYRO3 (0.39) CNR2SYKDAPK1LCKKDM4E
SCHEMBL3451240 0.82 PTK2 (0.41) CNR2DAPK1LCKTYRO3MERTK

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 549/4885CNR2 517/4885SYK 804/4885

“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.