SCHEMBL3448704

SCHEMBL3448704

COCCn1cc(-c2cnc(Nc3cc(OC)cc(OC)c3)nc2-n2ccc(C(F)(F)F)n2)cc(C(=O)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.40
CNR2 P34972 2/20 0.39
USP2 O75604 5/20 0.37
CYP1A2 P05177 5/20 0.37
MEN1 O00255 4/20 0.37
CASP1 P29466 4/20 0.37
CASP7 P55210 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP3A4 P08684 4/20 0.37
HBB P68871 2/20 0.37
BRCA1 P38398 2/20 0.37
LMNA P02545 2/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
CYP2C9 P11712 2/20 0.36
CLK4 Q9HAZ1 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
SCHEMBL13312858 0.95 CNR2 (0.38) SYKCNR2USP2CYP1A2MEN1
SCHEMBL3451045 0.94 TYRO3 (0.38) SYKCNR2USP2CYP1A2MEN1
SCHEMBL3448967 0.91 CNR2 (0.36) SYKCNR2USP2CYP1A2MEN1
SCHEMBL3447552 0.91 RAF1 (0.38) SYKCNR2TYRO3MERTK
SCHEMBL13312862 0.91 CNR2 (0.35) SYKCNR2USP2CYP1A2MEN1
SCHEMBL3373035 0.89 SYK (0.43) SYK
SCHEMBL3448322 0.88 SYK (0.39) SYKCNR2USP2CYP1A2MEN1
SCHEMBL3448252 0.88 CSNK2A1 (0.37) SYKUSP2CYP1A2CASP1CASP7
SCHEMBL3451069 0.86 SYK (0.38) SYKCNR2USP2CYP1A2MEN1
SCHEMBL3450724 0.86 SYK (0.44) SYK

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 3 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

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 SYK 804/4885CNR2 517/4885USP2 4478/4885

“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.