SCHEMBL4960733

SCHEMBL4960733

O=S(=O)(Cc1ccc2[nH]c3nccc(Br)c3c2c1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
IGF1R P08069 3/20 0.40
SPHK1 Q9NYA1 2/20 0.38
SPHK2 Q9NRA0 1/20 0.38
PTK6 Q13882 7/20 0.37
ERBB2 P04626 5/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
ALK Q9UM73 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
FEN1 P39748 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4962614 0.89 CHRM2 (0.40) EGFRIGF1RPTK6ERBB2POLB
SCHEMBL4958759 0.86 AURKA (0.46) EGFRIGF1RSPHK1SPHK2PTK6
SCHEMBL14594993 0.83 SPHK1 (0.35) SPHK1SPHK2MAPTPOLBALK
SCHEMBL4960536 0.82 EGFR (0.37) EGFRIGF1RPTK6ERBB2UTS2R
SCHEMBL4958627 0.82 MEN1 (0.42) SPHK1SPHK2MAPTPOLB
SCHEMBL14594934 0.80 ALK (0.47) PTK6ERBB2ALK
SCHEMBL4959129 0.79 CHEK1 (0.41) IGF1RSPHK1SPHK2MAPTPOLB
SCHEMBL14626816 0.79 ALK (0.46) PTK6ERBB2ALK
SCHEMBL14627335 0.78 EGFR (0.34) EGFRIGF1RPTK6ERBB2UTS2R
SCHEMBL14594959 0.78 ALK (0.45) PTK6ERBB2ALK

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
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
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 US 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 EGFR 1815/4885IGF1R 780/4885SPHK1 2121/4885

“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.