SCHEMBL2770136

SCHEMBL2770136

COC(=O)c1cc(F)c(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 13/20 0.42
HRH3 Q9Y5N1 2/20 0.42
SCD O00767 1/20 0.40
PIM1 P11309 2/20 0.39
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL2769972 0.92 PIM1 (0.42) GPR6SCDPIM1PIM3PIM2
SCHEMBL13634716 0.83 HRH3 (0.40) GPR6HRH3SCD
SCHEMBL13634650 0.83 IRAK4 (0.50)
SCHEMBL13634527 0.82 HRH3 (0.41) GPR6HRH3SCD
SCHEMBL2770250 0.82 HRH3 (0.58) HRH3SCD
SCHEMBL13634606 0.82 IRAK4 (0.43) GPR6HRH3SCD
SCHEMBL13634598 0.82 HRH3 (0.42) GPR6HRH3SCD
SCHEMBL13634653 0.81 HRH3 (0.41) GPR6HRH3SCD
SCHEMBL13638934 0.81 SCD (0.49) GPR6HRH3SCD
SCHEMBL13634719 0.80 HRH3 (0.39) GPR6HRH3SCD

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
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 GPR6 775/4885HRH3 592/4885SCD 4823/4885

“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.