SCHEMBL3604180

SCHEMBL3604180

C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 1.00
PDE1A P54750 3/20 1.00
PDE4C Q08493 3/20 1.00
PDE4D Q08499 3/20 1.00
PDE3B Q13370 3/20 1.00
PDE1C Q14123 3/20 1.00
PDE3A Q14432 3/20 1.00
PDE11A Q9HCR9 3/20 1.00
PDE10A Q9Y233 3/20 1.00
PDE2A O00408 1/20 0.66
CHRM2 P08172 1/20 0.66
PDE4A P27815 1/20 0.66
PDE4B Q07343 1/20 0.66

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
SCHEMBL3590587 1.00 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL3590585 1.00 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL4196526 0.91 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL4202275 0.91 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL12048999 0.89 MET (0.80) METPDE1APDE4CPDE4DPDE3B
SCHEMBL2697942 0.86 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL2699300 0.86 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL2696561 0.86 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL12101261 0.86 MET (0.81) METPDE1APDE4CPDE4DPDE3B
SCHEMBL14198922 0.86 MET (0.81) METPDE1APDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US 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-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 MET 1025/4885PDE1A 287/4885PDE4C 478/4885

“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.