SCHEMBL2586042

SCHEMBL2586042

Cc1cn2nc(C3CC3)cc(N3CCOCC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
SMPD3 Q9NY59 2/20 0.44
PDE10A Q9Y233 2/20 0.43
NCF1 P14598 1/20 0.41
TLR9 Q9NR96 3/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38
PIK3R1 P27986 2/20 0.38
PIK3CA P42336 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2585697 0.85 PDE10A (0.50) CNR2SMPD3PDE10ANCF1TLR9
SCHEMBL2575429 0.84 SMPD3 (0.52) SMPD3PDE10ANCF1PIK3R1PIK3CA
SCHEMBL2584005 0.80 PDE10A (0.53) SMPD3PDE10ANCF1CASP1CASP7
SCHEMBL16283752 0.80 PDE10A (0.48) CNR2SMPD3PDE10ANCF1TLR9
SCHEMBL2587774 0.77 PDE10A (0.67) CNR2PDE10ANCF1TLR9TLR8
SCHEMBL2583438 0.72 PDE10A (0.52) PDE10ANCF1PIK3R1PIK3CAHSD17B10
SCHEMBL25341891 0.72 MAPT (0.42) RAF1BRAFPIK3R1PIK3CAKMT2A
SCHEMBL17857352 0.72 CRHBP (0.51) SMPD3PIK3CAKMT2AHPGDTSHR
SCHEMBL16179656 0.72 CNR2 (0.49) CNR2NCF1RAF1BRAFHSD17B10
SCHEMBL21120181 0.71 KMT2A (0.48) CASP1CASP7HSD17B10KMT2AHPGD

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 9 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

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 CNR2 1430/4885SMPD3 64/4885PDE10A 2/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A CNR2 1430/4885SMPD3 64/4885PDE10A 2/4885

“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.