SCHEMBL2769972

SCHEMBL2769972

O=C(Nc1cc(F)c(C(=O)O)cc1F)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.42
GPR6 P46095 10/20 0.41
SCD O00767 1/20 0.41
PIM3 Q86V86 5/20 0.39
PIM2 Q9P1W9 5/20 0.39
CHEK1 O14757 1/20 0.37

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
SCHEMBL2770136 0.92 GPR6 (0.42) PIM1GPR6SCDPIM3PIM2
SCHEMBL13634783 0.82 IRAK4 (0.48)
SCHEMBL2770451 0.81 GPR6 (0.43) PIM1GPR6SCDCHEK1
SCHEMBL13634849 0.80 GPR6 (0.41) PIM1GPR6SCDCHEK1
SCHEMBL13634609 0.80 GPR6 (0.41) GPR6SCDCHEK1
SCHEMBL13162054 0.80 SCD (0.50) PIM1GPR6SCD
SCHEMBL2772627 0.80 SCD (0.50) SCD
SCHEMBL13634696 0.80 GPR6 (0.38) GPR6SCDCHEK1
SCHEMBL13634679 0.80 IRAK4 (0.43) GPR6SCDCHEK1
SCHEMBL2770731 0.80 OPRK1 (0.42)

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
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
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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 PIM1 913/4885GPR6 775/4885SCD 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.