SCHEMBL4960647

SCHEMBL4960647

CC(c1ccc2[nH]c3ncccc3c2c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PARP1 P09874 2/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
BRD4 O60885 1/20 0.39
KAT2B Q92831 3/20 0.39
SLC40A1 Q9NP59 5/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPT P10636 2/20 0.38
NPY1R P25929 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR2 O15552 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
SCHEMBL4960062 0.94 MET (0.39) METMEN1KMT2APARP1CHEK1
SCHEMBL4962608 0.83 ALK (0.37) AURKA
SCHEMBL4959114 0.82 BRD4 (0.43) MEN1KMT2APARP1CHEK1AURKA
SCHEMBL30304698 0.79 CHEK1 (0.49) MEN1KMT2APARP1CHEK1AURKA
SCHEMBL5447092 0.78 ALK (0.53)
SCHEMBL5455657 0.77 PARP1 (0.35) PARP1BRD4MAPT
SCHEMBL4960988 0.77 CHEK1 (0.47) MEN1KMT2APARP1CHEK1AURKA
SCHEMBL14594978 0.75 BRD4 (0.68) BRD4SLC40A1SMN1; SMN2
SCHEMBL14594981 0.74 GAA (0.46) METMEN1KMT2APARP1CHEK1
SCHEMBL4958627 0.73 MEN1 (0.42) METMEN1KMT2APARP1CHEK1

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 MET 3106/4885MEN1 1425/4885KMT2A 245/4885

“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.