SCHEMBL3591546

SCHEMBL3591546

Cn1cc(-c2cnc3cc[nH]c3c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
LRRK2 Q5S007 2/20 0.52
BRD4 O60885 1/20 0.48
SYK P43405 2/20 0.47
PIK3C3 Q8NEB9 1/20 0.46
ACVR1 Q04771 1/20 0.46
AURKB Q96GD4 3/20 0.46
AURKA O14965 2/20 0.46
INCENP Q9NQS7 2/20 0.46
TPX2 Q9ULW0 1/20 0.46
FGFR3 P22607 2/20 0.45
KDR P35968 2/20 0.45
MET P08581 4/20 0.44
METAP2 P50579 1/20 0.42
EPHX2 P34913 1/20 0.41
TTK P33981 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
CLK2 P49760 1/20 0.41

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
SCHEMBL15553150 0.79 ACVR1 (0.67) LRRK2BRD4ACVR1
SCHEMBL19095652 0.78 LRRK2 (0.57) MAPK1LRRK2BRD4ACVR1AURKB
SCHEMBL16368658 0.77 METAP2 (0.52) MAPK1LRRK2SYKACVR1AURKB
SCHEMBL295510 0.76 MAPK1 (0.59) MAPK1LRRK2BRD4SYKACVR1
SCHEMBL30914585 0.74 LRRK2 (0.70) MAPK1LRRK2ACVR1METDYRK1A
SCHEMBL29214194 0.74 LRRK2 (0.70) MAPK1LRRK2ACVR1METDYRK1A
SCHEMBL18363124 0.74 AXL (0.54) MAPK1BRD4SYKPIK3C3AURKB
SCHEMBL17785908 0.74 AURKA (0.47) MAPK1LRRK2ACVR1AURKBAURKA
SCHEMBL17785832 0.74 AURKA (0.47) MAPK1LRRK2ACVR1AURKBAURKA
SCHEMBL29870164 0.72 WNT1 (0.55) MAPK1AURKBFGFR3KDRMET

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 MAPK1 192/4885LRRK2 898/4885BRD4 1364/4885

“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.