Sugi Predict

Sugi Predict / Compounds / SCHEMBL1824315

SCHEMBL1824315

SCHEMBL1824315

CCc1ccc(-c2c(C)nc3c(-c4ccncc4)cc(C4CC4)nn23)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.35
▸ PDE8A O60658 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ PDE9A O76083 1/20 0.35
▸ PDE6A P16499 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PDE11A Q9HCR9 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ PI4KB Q9UBF8 3/20 0.34
▸ SMPD3 Q9NY59 2/20 0.33

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
SCHEMBL1823574 0.88 PDE2A (0.50) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL1827180 0.86 PDE3A (0.36) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL1824650 0.86 SMPD3 (0.39) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL2583811 0.83 PIK3CD (0.40) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL1827163 0.82 SMPD3 (0.39) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL1824030 0.81 CSNK1E (0.50) PDE10A
SCHEMBL1822688 0.81 PDE10A (0.41) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL1825473 0.79 PDE10A (0.46) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL1826632 0.78 PDE10A (0.54) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL1826458 0.75 PDE10A (0.39) PDE2APDE8APDE5APDE9APDE6A

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 6 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
EP-2493889-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-09-05 — — EP 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
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 PDE2A 4/4885PDE8A 19/4885PDE5A 3/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A PDE2A 4/4885PDE8A 19/4885PDE5A 3/4885

“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.