Sugi Predict

Sugi Predict / Compounds / SCHEMBL6920774

SCHEMBL6920774

SCHEMBL6920774

COCC(C)(C)c1ccc(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CCR9 P51686 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ ADRA2A P08913 2/20 0.31

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
SCHEMBL19313490 0.81 CYP2C19 (0.31) CYP2C19MAPK13MAPK12MAPK11MAPK14
SCHEMBL1820710 0.80 GBA1 (0.37) KDM4EPDE10AALDH1A1CYP2C19MAPK13
SCHEMBL217684 0.79 CCR1 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL1480763 0.77 NOS3 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL21789410 0.76 CCR1 (0.40) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL146646 0.75 CCR1 (0.52) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL18808193 0.75 CCR1 (0.36) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL6919418 0.75 CCR1 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL24922473 0.73 CCR1 (0.50) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL17828092 0.71 CCR1 (0.43) CCR1CCR5CCR8HDAC6NOS3

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-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
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 CCR1 4022/4885CCR5 2534/4885CCR8 4407/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A CCR1 4022/4885CCR5 2534/4885CCR8 4407/4885

“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.