SCHEMBL2589996

SCHEMBL2589996

Cc1cn2nc(Cl)cc(-c3ccncc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
JAK2 O60674 1/20 0.38
KDR P35968 8/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
FLT1 P17948 2/20 0.37
FLT4 P35916 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HAVCR2 Q8TDQ0 1/20 0.37
HTT P42858 1/20 0.36
MAPK13 O15264 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL2583175 0.86 DYRK1A (0.49) DYRK1APDE3BPDE3AJAK2KDR
SCHEMBL2585826 0.83 CYP2A6 (0.43) DYRK1AKDRALDH1A1KDM4EMAPT
SCHEMBL2579779 0.78 GSK3A (0.37) DYRK1AJAK2KDRFLT1FLT4
SCHEMBL2583666 0.78 DYRK1A (0.45) DYRK1APDE3BPDE3AJAK2KDR
SCHEMBL31118776 0.77 L3MBTL1 (0.40) L3MBTL1ALDH1A1HTT
SCHEMBL2589970 0.75 KDR (0.48) DYRK1APDE3BPDE3AJAK2KDR
SCHEMBL477053 0.74 ALDH1A1 (0.41) DYRK1AL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL1826272 0.74 ALDH1A1 (0.41) DYRK1AL3MBTL1ALDH1A1HPGDHSD17B10
Bromide SCHEMBL25241165 0.73 ALDH1A1 (0.40) L3MBTL1ALDH1A1HPGDHSD17B10HTT
Hydrochloric Acid SCHEMBL21979887 0.73 ALDH1A1 (0.40) L3MBTL1ALDH1A1HPGDHSD17B10HTT

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 10 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
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-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-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
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PASTOR-FERNANDEZ JOAQUIN 2011-11-03 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
WO-2011051342-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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 (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 DYRK1A 1227/4885PDE3B 8/4885PDE3A 5/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A DYRK1A 1227/4885PDE3B 8/4885PDE3A 5/4885

“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.