SCHEMBL6450397

SCHEMBL6450397

CC(=O)Nc1nc2cc(-c3ccc(C=C4SC(=O)NC4=O)cn3)cc(C34CC5CC(CC(C5)C3)C4)c2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.45
PTPRCAP Q14761 1/20 0.45
PIK3CA P42336 2/20 0.40
PIK3CG P48736 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39
HDAC4 P56524 8/20 0.36
HDAC8 Q9BY41 5/20 0.36
HPGD P15428 3/20 0.35
PPARG P37231 1/20 0.35
PIP4K2A P48426 1/20 0.34
PIM1 P11309 1/20 0.34
PIK3CD O00329 1/20 0.34
CSNK2A2 P19784 1/20 0.34
MAOB P27338 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
CLK1 P49759 1/20 0.34
CSNK2B P67870 1/20 0.34

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
SCHEMBL6450395 1.00 PTPN11 (0.45) PTPN11PTPRCAPPIK3CAPIK3CGNPC1
SCHEMBL6453483 0.90 PTPN11 (0.43) PTPN11PTPRCAPPIK3CAPIK3CGNPC1
SCHEMBL6453487 0.90 PTPN11 (0.43) PTPN11PTPRCAPPIK3CAPIK3CGNPC1
SCHEMBL6448147 0.86 PTPN11 (0.47) PTPN11PTPRCAPPIK3CAPIK3CGNPC1
SCHEMBL6448150 0.86 PTPN11 (0.47) PTPN11PTPRCAPPIK3CAPIK3CGNPC1
SCHEMBL6455468 0.85 PTPN11 (0.47) PTPN11PTPRCAPPIK3CAPIK3CGNPC1
SCHEMBL6455465 0.85 PTPN11 (0.47) PTPN11PTPRCAPPIK3CAPIK3CGNPC1
SCHEMBL6453279 0.83 PTPN11 (0.46) PTPN11PTPRCAPPIK3CAPIK3CGNPC1
SCHEMBL6453287 0.83 PTPN11 (0.46) PTPN11PTPRCAPPIK3CAPIK3CGNPC1
SCHEMBL6449215 0.80 PTPN11 (0.47) PTPN11PTPRCAPPIK3CAPIK3CGNPC1

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 PTPN11 4514/4885PTPRCAP 4380/4885PIK3CA 3562/4885

“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.