SCHEMBL2583503

SCHEMBL2583503

CCc1nc2c(-c3ccncc3)ccnn2c1-c1cnn(CCOC)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFATC1 O95644 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
IKBKE Q14164 3/20 0.39
TBK1 Q9UHD2 3/20 0.39
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
MAPK1 P28482 2/20 0.36
FEN1 P39748 1/20 0.34
BRAF P15056 1/20 0.34
MAPK3 P27361 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL2584682 0.88 NFATC1 (0.41) NFATC1GSK3BDYRK1AIKBKETBK1
SCHEMBL2587844 0.86 USP1 (0.41) NFATC1GSK3BDYRK1AIKBKETBK1
SCHEMBL2586015 0.85 NFATC1 (0.38) NFATC1GSK3BDYRK1AIKBKETBK1
SCHEMBL2587426 0.84 GRIA1 (0.38) NFATC1GSK3BDYRK1AIKBKETBK1
SCHEMBL2584593 0.78 PDE10A (0.53) GRIA1CACNG8
SCHEMBL2578378 0.76 IKBKE (0.40) NFATC1GSK3BDYRK1AIKBKETBK1
SCHEMBL2578159 0.74 IKBKE (0.39) NFATC1GSK3BDYRK1AIKBKETBK1
SCHEMBL2587373 0.72 PDE2A (0.33) MAPK1
SCHEMBL2578262 0.72 IKBKE (0.38) NFATC1GSK3BDYRK1AIKBKETBK1
SCHEMBL2586344 0.71 IKBKE (0.37) NFATC1GSK3BDYRK1AIKBKETBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493889-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-06 EP disclosed
US-8716282-B2 Imidazo[1,2-b]pyridazine derivatives and their use as PDE10 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-06 US disclosed
US-20120220581-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN-CILAG, S.A. (ES) 2012-08-30 US disclosed
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PASTOR-FERNANDEZ JOAQUIN 2011-11-03 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 (2 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-20120220581-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A NFATC1 4373/4885GSK3B 1024/4885DYRK1A 1227/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A NFATC1 4373/4885GSK3B 1024/4885DYRK1A 1227/4885

“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.