SCHEMBL2585813

SCHEMBL2585813

COCCn1cc(-c2c(C)nc3c(N4CCOCC4)cc(C)nn23)cn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 5/20 0.59
PDE2A O00408 1/20 0.50
PDE8A O60658 1/20 0.50
PDE5A O76074 1/20 0.50
PDE9A O76083 1/20 0.50
PDE6A P16499 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE7A Q13946 1/20 0.50
PDE3A Q14432 1/20 0.50
PDE11A Q9HCR9 1/20 0.50
PDE10A Q9Y233 1/20 0.50
GRIA1 P42261 1/20 0.47
CACNG8 Q8WXS5 1/20 0.47

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
SCHEMBL2585868 0.88 PDE10A (0.47) SMPD3PDE2APDE8APDE5APDE9A
SCHEMBL2583513 0.88 PDE10A (0.47) SMPD3PDE2APDE8APDE5APDE9A
SCHEMBL2586332 0.87 PDE10A (0.66) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL1825860 0.79 PDE10A (0.77) SMPD3PDE2APDE8APDE5APDE9A
SCHEMBL1827861 0.79 SMPD3 (0.63) SMPD3PDE2APDE8APDE5APDE9A
SCHEMBL2581139 0.79 PDE10A (0.55) SMPD3PDE2APDE8APDE5APDE9A
SCHEMBL2584593 0.76 PDE10A (0.53) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL2585268 0.76 PDE10A (0.53) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL2578378 0.76 IKBKE (0.40) SMPD3GRIA1CACNG8
SCHEMBL2484034 0.76 GRIA1 (0.74) GRIA1CACNG8

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 11 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 claimed
US-8716282-B2 Imidazo[1,2-b]pyridazine derivatives and their use as PDE10 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-06 US claimed
US-20120220581-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN-CILAG, S.A. (ES) 2012-08-30 US claimed
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PASTOR-FERNANDEZ JOAQUIN 2011-11-03 US claimed
EP-2863909-B1 COMBINATIONS COMPRISING 4-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOXALINE COMPOUNDS AS PDE 2 INHIBITORS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OR METABOLIC DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-11-04 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-9669035-B2 Combinations comprising PDE 2 inhibitors such as 1-aryl-4-methyl-[1,2,4]triazolo-[4,3-A]]quinoxaline compounds and PDE 10 inhibitors for use in the treatment of neurological of metabolic disorders JANSSEN PHARMACEUTICA NV (BE) 2017-06-06 US disclosed
US-20150366873-A1 COMBINATIONS COMPRISING PDE 2 INHIBITORS SUCH AS 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO-[4,3-A]]QUINOXALINE COMPOUNDS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OF METABOLIC DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2015-12-24 US 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 (3 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 SMPD3 64/4885PDE2A 4/4885PDE8A 19/4885
US-20150366873-A1 COMBINATIONS COMPRISING PDE 2 INHIBITORS SUCH AS 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO-[4,3-A]]QUINOXALINE COMPOUNDS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OF METABOLIC DISORDERS PDE12, PDE5A, PDE2A SMPD3 210/4885PDE2A 3/4885PDE8A 34/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A SMPD3 64/4885PDE2A 4/4885PDE8A 19/4885

“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.