SCHEMBL6449488

SCHEMBL6449488

Cc1cc2c(cc1-c1cc(/C=C3/SC(=O)NC3=O)ccc1N(C)C)C(C)(C)C=CC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
PIM1 P11309 12/20 0.49
PIM2 Q9P1W9 11/20 0.49
HPGD P15428 1/20 0.46
RXRA P19793 1/20 0.43
PIM3 Q86V86 2/20 0.43
PDE4B Q07343 1/20 0.43
IGF1R P08069 2/20 0.43
AKR1B1 P15121 4/20 0.41
CISD1 Q9NZ45 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL6449493 1.00 GSK3B (0.49) GSK3BPIM1PIM2HPGDRXRA
SCHEMBL5492867 0.89 GSK3B (0.49) GSK3BPIM1PIM2HPGDRXRA
SCHEMBL5492870 0.89 GSK3B (0.49) GSK3BPIM1PIM2HPGDRXRA
SCHEMBL14492755 0.89 GSK3B (0.49) GSK3BPIM1PIM2HPGDRXRA
SCHEMBL6028171 0.84 GSK3B (0.44) GSK3BPIM1PIM2HPGDRXRA
SCHEMBL6028169 0.84 GSK3B (0.44) GSK3BPIM1PIM2HPGDRXRA
SCHEMBL14492774 0.81 PIM1 (0.52) GSK3BPIM1PIM2HPGDPIM3
SCHEMBL5488100 0.81 PIM1 (0.52) GSK3BPIM1PIM2HPGDPIM3
SCHEMBL5488097 0.81 PIM1 (0.52) GSK3BPIM1PIM2HPGDPIM3
SCHEMBL7461584 0.81 GSK3B (0.49) GSK3BPIM1PIM2HPGDRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases INCYTE CORPORATION 2005-02-17 US claimed
US-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases INCYTE CORPORATION 2005-02-17 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-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases HSD17B10, IDH2, INSR GSK3B 2758/4885PIM1 708/4885PIM2 569/4885

“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.