SCHEMBL3376126

SCHEMBL3376126

Cc1cc(C(F)(F)F)nn1-c1nc(Nc2cccc(Cl)c2)ncc1Br

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
IGF1R P08069 2/20 0.44
CDK1 P06493 3/20 0.43
CNR2 P34972 4/20 0.41
IDH1 O75874 1/20 0.41
IDH2 P48735 1/20 0.41
CTSC P53634 1/20 0.41
NPY5R Q15761 1/20 0.41
MAOB P27338 1/20 0.40
GRM5 P41594 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PRKCQ Q04759 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3450241 0.90 AURKA (0.46) SYKCDK1NPY5RGRM5TP53
SCHEMBL3449945 0.89 TBK1 (0.43) SYKCNR2CTSCGRM5TP53
SCHEMBL13311795 0.89 IGF1R (0.46) SYKIGF1RCDK1IDH2CTSC
SCHEMBL3376986 0.87 ULK1 (0.45) CTSC
SCHEMBL3447286 0.85 SYK (0.48) SYKIGF1RCNR2MAOBGRM5
SCHEMBL3450220 0.85 SYK (0.52) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3448727 0.84 CDK19 (0.52) SYKIGF1R
SCHEMBL3450756 0.83 IGF1R (0.41) SYKIGF1RCNR2MAPTHDAC3
SCHEMBL3448729 0.83 MAPT (0.36) SYKIGF1RCDK1TP53MAPT
SCHEMBL3375916 0.83 SYK (0.39) SYKIGF1RTP53MAPTHDAC3

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 SYK 804/4885IGF1R 4845/4885CDK1 1871/4885

“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.