SCHEMBL6447872

SCHEMBL6447872

Cc1nc2cc(C34CC5CC(CC(C5)C3)C4)cc(-c3ccc(C=C4SC(=S)NC4=O)cc3)c2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 5/20 0.43
PTPN11 Q06124 1/20 0.42
PTPRCAP Q14761 1/20 0.42
MYC P01106 3/20 0.41
MAX P61244 3/20 0.41
RAB9A P51151 3/20 0.41
CSNK2A2 P19784 2/20 0.41
CLK1 P49759 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
DYRK1A Q13627 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
PIM1 P11309 2/20 0.41
NPC1 O15118 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
CLK3 P49761 1/20 0.41

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
SCHEMBL6447869 1.00 NAT1 (0.43) NAT1PTPN11PTPRCAPMYCMAX
SCHEMBL6448177 0.93 PTPN11 (0.49) PTPN11PTPRCAPRAB9ACSNK2A2CLK1
SCHEMBL6448172 0.93 PTPN11 (0.49) PTPN11PTPRCAPRAB9ACSNK2A2CLK1
SCHEMBL6459642 0.92 NAT1 (0.46) NAT1PTPN11PTPRCAPRAB9ACSNK2A2
SCHEMBL6459639 0.92 NAT1 (0.46) NAT1PTPN11PTPRCAPRAB9ACSNK2A2
SCHEMBL6449197 0.85 PTPN11 (0.47) PTPN11PTPRCAPPIM1CISD1MAOA
SCHEMBL6449195 0.85 PTPN11 (0.47) PTPN11PTPRCAPPIM1CISD1MAOA
SCHEMBL6452478 0.81 KCNA3 (0.34) PTPN11RAB9ANPC1MEN1KMT2A
SCHEMBL6449412 0.78 PTPN11 (0.53) PTPN11PTPRCAPRAB9ACSNK2A2CLK1
SCHEMBL6449408 0.78 PTPN11 (0.53) PTPN11PTPRCAPRAB9ACSNK2A2CLK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases INCYTE CORPORATION 2005-01-20 US claimed
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 35/4885PTPN11 4514/4885PTPRCAP 4380/4885

“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.