SCHEMBL4958627

SCHEMBL4958627

O=S(=O)(Cc1ccc2[nH]c3ncccc3c2c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP1 P09874 3/20 0.41
AURKA O14965 1/20 0.41
MET P08581 1/20 0.41
CHEK1 O14757 1/20 0.41
BRD4 O60885 2/20 0.41
POLB P06746 1/20 0.40
RORC P51449 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 2/20 0.39
SPHK1 Q9NYA1 2/20 0.37
SPHK2 Q9NRA0 1/20 0.37
PPP1CA P62136 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC40A1 Q9NP59 2/20 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
SCHEMBL4960654 0.88 CHRM2 (0.44) MEN1KMT2APARP1AURKAMET
SCHEMBL4960733 0.82 EGFR (0.40) POLBMAPTSPHK1SPHK2
SCHEMBL4958759 0.82 AURKA (0.46) KMT2AAURKAPOLBMAPTSPHK1
SCHEMBL4959129 0.82 CHEK1 (0.41) MEN1KMT2AAURKACHEK1BRD4
SCHEMBL4959184 0.81 BRD4 (0.44) MEN1KMT2APARP1AURKACHEK1
SCHEMBL14594978 0.77 BRD4 (0.68) BRD4SMN1; SMN2SLC40A1
SCHEMBL14594930 0.77 ALK (0.58)
SCHEMBL14594934 0.76 ALK (0.47)
SCHEMBL5437204 0.76 FEN1 (0.39) MEN1KMT2APARP1BRD4POLB
SCHEMBL4960713 0.76 CHEK1 (0.49) MEN1KMT2APARP1AURKACHEK1

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 MEN1 1425/4885KMT2A 245/4885PARP1 123/4885

“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.