SCHEMBL3375642

SCHEMBL3375642

COc1cc(Nc2ncc(Br)c(-n3ccc(C(F)(F)F)n3)n2)cc(S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.42
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
IGF1R P08069 2/20 0.38
RIPK2 O43353 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CDK1 P06493 4/20 0.36
CDK2 P24941 4/20 0.36
KDR P35968 3/20 0.36
MAPK3 P27361 1/20 0.36
SYK P43405 2/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
IDH1 O75874 1/20 0.35
PTK2 Q05397 3/20 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
SCHEMBL3374211 0.91 IGF1R (0.44) AXLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3448604 0.87 IDH1 (0.46) AXLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3377791 0.87 IGF1R (0.42) AXLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3448984 0.86 IGF1R (0.39) AXLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3449566 0.84 AXL (0.40) AXLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3452726 0.81 AXL (0.36) AXLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3450174 0.80 IDH1 (0.37) LRRK2CDK1CDK2KDRSYK
SCHEMBL3373080 0.80 NPC1 (0.46) IGF1RKDRSYKJAK2IDH1
SCHEMBL3449686 0.78 SYK (0.40) AXLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3448777 0.78 THRB (0.39) AXLRIPK2KDRMAPK3SYK

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 AXL 2812/4885HDAC3 1200/4885HDAC1 1109/4885

“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.