SCHEMBL3373625

SCHEMBL3373625

FC(F)(F)c1ccn(-c2nc(Nc3cccc(Cl)c3)ncc2Br)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SYK P43405 2/20 0.46
IGF1R P08069 2/20 0.46
CDK1 P06493 3/20 0.44
CNR2 P34972 7/20 0.42
CTSC P53634 1/20 0.42
MAOB P27338 1/20 0.42
GRM5 P41594 1/20 0.42
PRKCQ Q04759 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL3448088 0.88 TBK1 (0.44) SYKCNR2CTSCGRM5
SCHEMBL3448902 0.88 AURKA (0.46) MAPTSYKCDK1GRM5
SCHEMBL3373633 0.87 ULK1 (0.44) CTSC
SCHEMBL3450149 0.85 SYK (0.50) SYKIGF1RCNR2MAOBGRM5
SCHEMBL3450568 0.83 SYK (0.52) SYKIGF1RHDAC3HDAC1HDAC2
SCHEMBL3450285 0.83 SYK (0.52) MAPTNPSR1SYKHDAC3HDAC1
SCHEMBL3448984 0.83 IGF1R (0.39) SYKIGF1RCNR2HDAC3HDAC1
SCHEMBL3451277 0.83 IDH1 (0.46) MAPTNPSR1SYKCNR2
SCHEMBL3373080 0.82 NPC1 (0.46) MAPTSYKIGF1R
SCHEMBL3376126 0.82 SYK (0.45) MAPTSYKIGF1RCDK1CNR2

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 5 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
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 MAPT 3947/4885NPSR1 2715/4885SYK 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.