SCHEMBL3436574

SCHEMBL3436574

Cc1cccnc1N1C[C@@H](O)C[C@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
CDK5 Q00535 2/20 0.39
DYRK1A Q13627 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK9 P50750 1/20 0.39
CCNA1 P78396 1/20 0.39
PDE10A Q9Y233 1/20 0.36
MALT1 Q9UDY8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
OPRL1 P41146 1/20 0.33
KCNH2 Q12809 1/20 0.33
TACR1 P25103 2/20 0.33
TACR3 P29371 2/20 0.33
HTR7 P34969 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL3435679 0.83 GRIN2D (0.36) KCNJ5KCNJ3CDK5DYRK1ACDK5R1
SCHEMBL14000144 0.81 MALT1 (0.41) MALT1NPSR1HTR7HSD11B1KDM4E
SCHEMBL3436174 0.78 MEN1 (0.54) HSD11B1
SCHEMBL31716179 0.72 HSD11B1 (0.44) PDE10AMALT1HTR7HSD11B1KDM4E
SCHEMBL18484126 0.72 HSD11B1 (0.44) PDE10AMALT1HTR7HSD11B1KDM4E
SCHEMBL14818776 0.69 HSD11B1 (0.44) PDE10AMALT1HTR7HSD11B1KDM4E
SCHEMBL11962835 0.68 SMO (0.48) PDE10AMALT1HSD11B1SMOTRPV1
SCHEMBL3436511 0.67 SMO (0.53) PDE10AMALT1HSD11B1KDM4ESMO
SCHEMBL8194023 0.65 KCNJ5 (0.34) KCNJ5KCNJ3CDK5DYRK1ACDK5R1
SCHEMBL8194019 0.65 KCNJ5 (0.34) KCNJ5KCNJ3CDK5DYRK1ACDK5R1

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
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 KCNJ5 1192/4885KCNJ3 1184/4885CDK5 366/4885

“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.