SCHEMBL4513540

SCHEMBL4513540

CNC(=O)c1ccc(-c2ccc3nnc(Sc4cc5cccnc5cc4C)n3n2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.52
CDKL5 O76039 1/20 0.51
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
ABL1 P00519 1/20 0.47
NQO2 P16083 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
DYRK1A Q13627 1/20 0.47
MAP3K19 Q56UN5 1/20 0.47
PIP4K2C Q8TBX8 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
PDE1A P54750 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE1C Q14123 1/20 0.44
PDE11A Q9HCR9 1/20 0.44
PDE10A Q9Y233 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL4502367 0.94 MET (0.53) METCDKL5PDE3BPDE3AABL1
SCHEMBL4513187 0.89 MET (0.61) METCDKL5PDE3BPDE3AABL1
SCHEMBL12049431 0.84 MET (0.56) METCDKL5PDE3BPDE3APDE1A
SCHEMBL12049114 0.84 MET (0.61) METCDKL5
SCHEMBL12049507 0.83 MET (0.67) METCDKL5
SCHEMBL12049400 0.79 MET (0.65) METCDKL5PDE3BPDE3APDE1A
SCHEMBL12049018 0.79 MET (0.78) METCDKL5
SCHEMBL12049488 0.79 MET (0.66) METCDKL5PDE3BPDE3ANQO2
SCHEMBL12049424 0.77 MET (0.57) METCDKL5PDE3BPDE3ANQO2
SCHEMBL12049096 0.77 MET (0.78) METCDKL5PDE3BPDE3APDE1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
EP-2084162-B1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
WO-2008051808-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO 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-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB MET 1052/4885CDKL5 271/4885PDE3B 1674/4885

“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.