SCHEMBL2583666

SCHEMBL2583666

Cc1cn2nc(C3CC3)cc(-c3ccncc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PIK3CD O00329 1/20 0.36
JAK2 O60674 1/20 0.35
KDR P35968 2/20 0.35
HTT P42858 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.34
ACVR2A P27037 1/20 0.34
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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 0.82 DYRK1A (0.49) DYRK1APDE3BPDE3AJAK2KDR
SCHEMBL2589996 0.78 DYRK1A (0.46) DYRK1APDE3BPDE3AJAK2KDR
SCHEMBL2579779 0.76 GSK3A (0.37) DYRK1AJAK2KDRGABRA1GABRG2
SCHEMBL2589970 0.71 KDR (0.48) DYRK1APDE3BPDE3AJAK2KDR
SCHEMBL2584401 0.70 GSK3A (0.52) DYRK1APIK3CDJAK2KDRACVR2A
SCHEMBL1824315 0.68 PDE2A (0.35) PDE3APDE10ASMPD3PDE4D
SCHEMBL2586042 0.68 CNR2 (0.44) ALDH1A1HPGDHSD17B10PDE10ASMPD3
SCHEMBL2583811 0.68 PIK3CD (0.40) DYRK1APDE3APIK3CDPDE10ASMPD3
SCHEMBL3962543 0.67 SMPD3 (0.45) HTTGABRA1ALDH1A1HPGDHSD17B10
SCHEMBL16598540 0.67 NPC1 (0.42) DYRK1AHTTALDH1A1HPGDHSD17B10

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.