SCHEMBL3451797

SCHEMBL3451797

N#Cc1cccc(Nc2ncc(-c3cccc(C=CC(=O)O)c3)c(-n3ccc(C(F)(F)F)n3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.43
CNR2 P34972 1/20 0.42
MAOB P27338 1/20 0.39
GRM5 P41594 1/20 0.39
EGFR P00533 1/20 0.37
BTK Q06187 1/20 0.37
RHOA P61586 1/20 0.37
P4HB P07237 2/20 0.36
IDH1 O75874 1/20 0.36
PIM2 Q9P1W9 1/20 0.35
HDAC4 P56524 1/20 0.35
MEF2D Q14814 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
SCHEMBL3451794 1.00 SYK (0.43) SYKCNR2MAOBGRM5EGFR
SCHEMBL3448160 0.90 IDH1 (0.37) SYKCNR2EGFRBTKIDH1
SCHEMBL3448156 0.90 IDH1 (0.37) SYKCNR2EGFRBTKIDH1
SCHEMBL3448101 0.89 MAOB (0.40) SYKCNR2MAOBGRM5RHOA
SCHEMBL3448099 0.89 MAOB (0.40) SYKCNR2MAOBGRM5RHOA
SCHEMBL3451242 0.89 SYK (0.41) SYKGRM5RHOAPIM2
SCHEMBL3451237 0.89 SYK (0.41) SYKGRM5RHOAPIM2
SCHEMBL3447966 0.87 SYK (0.47) SYKEGFRBTKRHOAPIM2
SCHEMBL3447971 0.87 SYK (0.47) SYKEGFRBTKRHOAPIM2
SCHEMBL3449736 0.87 SYK (0.47) SYKRHOAPIM2

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 2 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

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 517/4885MAOB 103/4885

“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.