SCHEMBL6449258

SCHEMBL6449258

CCC(C)(C)c1cc(-c2ccc(/C=C3\SC(=O)NC3=O)cn2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.51
PIM2 Q9P1W9 6/20 0.51
PIM3 Q86V86 3/20 0.51
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
GSK3B P49841 5/20 0.46
DYRK1A Q13627 2/20 0.46
CDC7 O00311 1/20 0.46
DAPK3 O43293 1/20 0.46
DYRK3 O43781 1/20 0.46
MAP4K4 O95819 1/20 0.46
PHKG2 P15735 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CSNK1D P48730 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
NEK4 P51957 1/20 0.46

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
SCHEMBL6449261 1.00 PIM1 (0.51) PIM1PIM2PIM3PTGS1PTGS2
SCHEMBL6449306 0.85 PTGS1 (0.47) PIM1PIM2PIM3PTGS1PTGS2
SCHEMBL6449303 0.85 PTGS1 (0.47) PIM1PIM2PIM3PTGS1PTGS2
SCHEMBL6451359 0.82 GSK3B (0.49) PIM1PIM2PIM3PTGS1PTGS2
SCHEMBL6451356 0.82 GSK3B (0.49) PIM1PIM2PIM3PTGS1PTGS2
SCHEMBL6449159 0.80 NPC1 (0.43) PIM1PIM2PIM3PTGS1PTGS2
SCHEMBL6449163 0.80 NPC1 (0.43) PIM1PIM2PIM3PTGS1PTGS2
SCHEMBL6449142 0.79 ALDH1A1 (0.40) PTGS2RAB9ANPC1HPGDTDP1
SCHEMBL6450518 0.79 NPC1 (0.41) PIM1PIM2PIM3PTGS1PTGS2
SCHEMBL6450520 0.79 NPC1 (0.41) PIM1PIM2PIM3PTGS1PTGS2

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 1 patent. 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 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 PIM1 1650/4885PIM2 1841/4885PIM3 2238/4885

“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.