SCHEMBL3589940

SCHEMBL3589940

CCOC(=O)Cn1ccc2ncc(-c3cnn(C)c3)cc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 18/20 0.51
GRIN1 Q05586 3/20 0.50
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
KDR P35968 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48
CYP2C9 P11712 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL3589400 0.81 GRIN2B (0.54) GRIN2B
SCHEMBL16302833 0.80 GRIN2B (0.53) GRIN2BGRIN1
SCHEMBL28523558 0.80 GRIN2B (0.77) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL28518318 0.78 KDM4E (0.49) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL29151071 0.74 MET (0.54) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL29151085 0.74 FGFR2 (0.56) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL17754800 0.74 GRIN2B (0.60) GRIN2BGRIN1FGFR1FGFR2FGFR4
SCHEMBL17754805 0.72 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL17754803 0.70 GRIN2B (0.59) GRIN2BGRIN1FGFR1FGFR2FGFR4
SCHEMBL18363146 0.69 GRIN2B (0.69) GRIN2BGRIN1

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-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP 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
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE 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-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 GRIN2B 1076/4885GRIN1 866/4885FGFR1 1637/4885

“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.