SCHEMBL2579595

SCHEMBL2579595

FC(F)(F)Cn1cc(-c2c(C3CC3)nc3c(-c4ccncc4)ccnn23)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.37
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CDK2 P24941 2/20 0.33
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNA1 P78396 1/20 0.33
MET P08581 2/20 0.32
PDE10A Q9Y233 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PIM1 P11309 4/20 0.31
PIM3 Q86V86 3/20 0.31
PIM2 Q9P1W9 3/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CCND3 P30281 1/20 0.31

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
SCHEMBL2585699 0.87 CHEK1 (0.33) LRRK2CDK2CHEK1CCNA2CCNA1
SCHEMBL2583144 0.83 LRRK2 (0.37) LRRK2CCNCCDK8METPDE10A
SCHEMBL2587426 0.82 GRIA1 (0.38) CDK2CHEK1CCNA2CCNA1MAPK1
SCHEMBL2583876 0.80 PDE10A (0.45) LRRK2PDE10A
SCHEMBL2477205 0.78 LRRK2 (0.38) LRRK2CDK2METPIM1PIM3
SCHEMBL1824351 0.73 TMEM97 (0.36) CDK2CHEK1CCNA2CCNA1PDE10A
SCHEMBL2587373 0.71 PDE2A (0.33) PDE10AMAPK1
SCHEMBL1823220 0.71 PDE10A (0.35) PDE10A
SCHEMBL1827592 0.70 PDE10A (0.36) PDE10AMAPK1
SCHEMBL2586015 0.69 NFATC1 (0.38) MET

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 LRRK2 3193/4885CCNC 3891/4885CDK8 1164/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A LRRK2 3193/4885CCNC 3891/4885CDK8 1164/4885

“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.