SCHEMBL2770243

SCHEMBL2770243

COCCNC(=O)c1cc(CN2CCO[C@@H](C)C2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
CCKAR P32238 1/20 0.36
CBLB Q13191 1/20 0.36
DRD4 P21917 1/20 0.36
GRM2 Q14416 5/20 0.35
KCNH2 Q12809 1/20 0.35
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
OPRK1 P41145 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL13639001 1.00 KMT2A (0.38) KMT2ACCKARCBLBDRD4GRM2
Fumaric Acid SCHEMBL2771640 0.96 CCKAR (0.36) KMT2ACCKARCBLBDRD4GRM2
Fumaric Acid SCHEMBL2771644 0.96 CCKAR (0.36) KMT2ACCKARCBLBDRD4GRM2
SCHEMBL13634656 0.95 DRD4 (0.41) KMT2ADRD4GRM2KCNH2SCD
SCHEMBL13634657 0.95 DRD4 (0.41) KMT2ADRD4GRM2KCNH2SCD
SCHEMBL13162737 0.94 GRM2 (0.36) KMT2ADRD4GRM2KCNH2SCD
SCHEMBL13638771 0.92 SCD (0.36) KMT2ASCDSCD5ALDH1A1PDCD1
SCHEMBL13638830 0.92 DRD4 (0.42) KMT2ADRD4GRM2KCNH2SCD
SCHEMBL13638912 0.92 KMT2A (0.47) KMT2AOPRK1MEN1ALDH1A1CYP1A2
SCHEMBL13638951 0.92 PDCD1 (0.40) KMT2AGRM2SCDSCD5PDCD1

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 9 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 claimed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US claimed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US claimed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP claimed
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-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 KMT2A 1236/4885CCKAR 548/4885CBLB 842/4885

“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.