SCHEMBL4959129

SCHEMBL4959129

O=S(=O)(Cc1ccc2[nH]c3ncc(Br)cc3c2c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
MAPT P10636 3/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PRKCG P05129 1/20 0.37
INSR P06213 1/20 0.37
CDK1 P06493 1/20 0.37
FES P07332 1/20 0.37
IGF1R P08069 1/20 0.37
ROS1 P08922 1/20 0.37
FGFR1 P11362 1/20 0.37
PHKG2 P15735 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
SCHEMBL4958627 0.82 MEN1 (0.42) CHEK1MAPTAURKABRD4RORC
SCHEMBL4960733 0.79 EGFR (0.40) MAPTAPOBEC3GTDP1IGF1RFEN1
SCHEMBL14594993 0.78 SPHK1 (0.35) MAPTAPOBEC3GTDP1LMNAAURKA
SCHEMBL14594615 0.78 PTGS2 (0.39) MAPTAPOBEC3GTDP1LMNAALDH1A1
SCHEMBL5441968 0.77 MAPT (0.39) MAPTAPOBEC3GTDP1ALDH1A1BRD4
SCHEMBL14594992 0.76 MAP2K7 (0.42) MAPTAPOBEC3GTDP1LMNAAURKA
SCHEMBL4960303 0.76 CHEK1 (0.50) CHEK1MAPTAPOBEC3GLMNAALDH1A1
SCHEMBL14594612 0.75 IMPDH2 (0.39) MAPTAPOBEC3GTDP1ROCK2POLB
SCHEMBL14594736 0.75 SGK1 (0.36) MAPTLMNAALDH1A1FEN1SPHK1
SCHEMBL14627236 0.75 HTR6 (0.38) BRD4

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 CHEK1 75/4885MAPT 2266/4885APOBEC3G 3286/4885

“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.