SCHEMBL4962608

SCHEMBL4962608

CC(c1ccc2[nH]c3nccc(Br)c3c2c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.37
PTK6 Q13882 5/20 0.37
IGF1R P08069 3/20 0.37
KDR P35968 3/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
FLT1 P17948 1/20 0.37
LTK P29376 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CLK2 P49760 1/20 0.37

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
SCHEMBL4960647 0.83 MET (0.42) AURKA
SCHEMBL5447092 0.80 ALK (0.53) ALK
SCHEMBL4960062 0.78 MET (0.39) ALKAURKA
SCHEMBL4960733 0.75 EGFR (0.40) ALKPTK6IGF1RERBB2EGFR
SCHEMBL4962614 0.73 CHRM2 (0.40) ALKPTK6IGF1RERBB2EGFR
SCHEMBL17453383 0.70 UTS2R (0.56) PTK6ERBB2UTS2R
SCHEMBL16011809 0.69 ALK (0.54) ALKPTK6AURKAACVR1ERBB2
SCHEMBL20462060 0.69 IGF1R (0.39) ALKPTK6IGF1RKDRAURKA
SCHEMBL5455657 0.67 PARP1 (0.35)
SCHEMBL17453374 0.67 UTS2R (0.54) PTK6IGF1RCDK5DYRK1AERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896472-A1 ALPHA-CARBOLINES AS CDK-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-03-12 EP disclosed
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 US disclosed
WO-2006131552-A1 ALPHA-CARBOLINES AS CDK-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-14 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-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors CDKL1, CDK1, CCNA1 ALK 3341/4885PTK6 2422/4885IGF1R 780/4885

“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.