SCHEMBL6459642

SCHEMBL6459642

Cc1nc2cc(C34CC5CC(CC(C5)C3)C4)cc(-c3cccc(C=C4SC(=S)NC4=O)c3)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 4/20 0.46
PIM1 P11309 3/20 0.42
CLK1 P49759 2/20 0.42
CLK3 P49761 2/20 0.42
DYRK1A Q13627 2/20 0.42
PIK3CD O00329 1/20 0.42
CSNK2A2 P19784 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
HASPIN Q8TF76 1/20 0.42
DYRK2 Q92630 1/20 0.42
MYLK2 Q9H1R3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
STK17A Q9UEE5 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CISD1 Q9NZ45 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6459639 1.00 NAT1 (0.46) NAT1PIM1CLK1CLK3DYRK1A
SCHEMBL6449195 0.93 PTPN11 (0.47) PIM1CISD1MEN1KMT2APIM3
SCHEMBL6449197 0.93 PTPN11 (0.47) PIM1CISD1MEN1KMT2APIM3
SCHEMBL6447872 0.92 NAT1 (0.43) NAT1PIM1CLK1CLK3DYRK1A
SCHEMBL6447869 0.92 NAT1 (0.43) NAT1PIM1CLK1CLK3DYRK1A
SCHEMBL6448177 0.84 PTPN11 (0.49) PIM1CLK1DYRK1APIK3CDCSNK2A2
SCHEMBL6448172 0.84 PTPN11 (0.49) PIM1CLK1DYRK1APIK3CDCSNK2A2
SCHEMBL6453592 0.82 BRD4 (0.35) MEN1KMT2ANPC1
SCHEMBL6449755 0.79 PTPN11 (0.49) PIM1CISD1MEN1KMT2APIM3
SCHEMBL6449756 0.79 PTPN11 (0.49) PIM1CISD1MEN1KMT2APIM3

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
WO-2004066952-A2 BENZOXAZOLE, BENZOTHIAZOLE, AND BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER DISEASES INCYTE CORPORATION (US) 2004-08-12 WO claimed
US-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases INCYTE CORPORATION 2005-01-20 US disclosed
WO-2004066952-A2 BENZOXAZOLE, BENZOTHIAZOLE, AND BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER DISEASES INCYTE CORPORATION (US) 2004-08-12 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-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases AR, CCNT1, BRD1 NAT1 35/4885PIM1 1650/4885CLK1 4063/4885

“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.