SCHEMBL21772809

SCHEMBL21772809

CCCc1cc2c(NC3CCC(N)CC3)c(Br)cnc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.38
CCNE1 P24864 12/20 0.38
FLT3 P36888 12/20 0.38
GSK3B P49841 2/20 0.36
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
KIT P10721 1/20 0.33
CCR6 P51684 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33

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
SCHEMBL21772811 1.00 CDK2 (0.38) CDK2CCNE1FLT3GSK3BCDK7
SCHEMBL21772857 0.91 MERTK (0.34) FLT3CCR6AXLTYRO3MERTK
SCHEMBL20536538 0.91 MERTK (0.34) FLT3CCR6AXLTYRO3MERTK
SCHEMBL21772839 0.90 PTGDR2 (0.35) CCR6
SCHEMBL21772838 0.90 PTGDR2 (0.35) CCR6
SCHEMBL21772921 0.84 PTGDR2 (0.34) CCR6
SCHEMBL21772923 0.84 PTGDR2 (0.34) CCR6
SCHEMBL20536581 0.77 ABL1 (0.40)
SCHEMBL21772869 0.74 CCR6 (0.34) CDK2CCNE1FLT3CCR6AXL
SCHEMBL21772871 0.74 CCR6 (0.34) CDK2CCNE1FLT3CCR6AXL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071326-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS INC (US) 2020-03-05 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-20200071326-A1 TAM KINASE INHIBITORS PIK3CA, MAP3K1, MAP3K5 CDK2 211/4885CCNE1 1204/4885FLT3 25/4885

“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.