SCHEMBL2772028

SCHEMBL2772028

COC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.42
KMT2A Q03164 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.40
MCHR1 Q99705 1/20 0.39
S1PR1 P21453 1/20 0.39
PDE4B Q07343 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.39
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL13634541 0.94 OPRK1 (0.40) OPRK1KMT2AIRAK4PDE4BMAPK1
SCHEMBL2770731 0.93 OPRK1 (0.42) OPRK1KMT2AIRAK4MCHR1S1PR1
Hydrochloric Acid SCHEMBL2770260 0.92 OPRK1 (0.41) OPRK1KMT2AIRAK4MCHR1S1PR1
SCHEMBL2772498 0.92 PARP1 (0.43) OPRK1KMT2AIRAK4MCHR1S1PR1
SCHEMBL2770473 0.91 KMT2A (0.44) OPRK1KMT2AIRAK4MCHR1PDE4B
SCHEMBL13634719 0.89 HRH3 (0.39) OPRK1KMT2AIRAK4MCHR1SMN1; SMN2
SCHEMBL13634716 0.89 HRH3 (0.40) OPRK1KMT2AIRAK4SMN1; SMN2
SCHEMBL13634794 0.88 HRH3 (0.38) OPRK1KMT2ASMN1; SMN2
SCHEMBL13634650 0.88 IRAK4 (0.50) OPRK1KMT2AIRAK4
SCHEMBL13634617 0.88 MCHR1 (0.39) OPRK1KMT2AIRAK4MCHR1S1PR1

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 5 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
CN-101835764-A Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC 2010-09-15 CN 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 OPRK1 534/4885KMT2A 1236/4885IRAK4 93/4885

“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.