SCHEMBL2581529

SCHEMBL2581529

Cc1cn2nccc(-c3cccnc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
CYP17A1 P05093 2/20 0.48
CYP2A6 P11509 9/20 0.44
CYP3A4 P08684 5/20 0.43
CYP2E1 P05181 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2B6 P20813 4/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 1/20 0.43
PTGS2 P35354 1/20 0.42
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL2585826 0.79 CYP2A6 (0.43) KDRCYP17A1CYP2A6CYP3A4CYP2E1
SCHEMBL2591159 0.76 CYP17A1 (0.51) KDRCYP17A1CYP2A6CYP3A4CYP2E1
SCHEMBL14322092 0.75 CYP2A6 (0.43) KDRCYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL11164485 0.72 HTT (0.49) KDRCYP17A1CYP2A6CYP3A4CYP2C9
SCHEMBL6937107 0.72 CYP2A6 (0.51) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL15004634 0.71 ALDH1A1 (0.43) CYP17A1CYP2C9CYP2D6CYP1A2ALDH1A1
SCHEMBL2593570 0.70 CYP17A1 (0.61) KDRCYP17A1CYP2A6CYP3A4CYP1A2
SCHEMBL12176980 0.69 CYP17A1 (0.80) CYP17A1CYP1A2
SCHEMBL10849230 0.69 DYRK1A (0.68) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL23290796 0.68 ALDH1A1 (0.49) ALDH1A1MAPT

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 KDR 4021/4885CYP17A1 612/4885CYP2A6 241/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A KDR 4021/4885CYP17A1 612/4885CYP2A6 241/4885

“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.