SCHEMBL1816280

SCHEMBL1816280

COCCOc1ncc(Br)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CYP17A1 P05093 1/20 0.36
CNR2 P34972 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.33
FBP1 P09467 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM1A O60341 1/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL19100554 0.84 AAK1 (0.40) AAK1S1PR1S1PR3KMT2ARECQL
SCHEMBL6920778 0.81 TSHR (0.42) TSHRCYP17A1KCNJ5KCNJ3KMT2A
SCHEMBL611785 0.81 PIK3CA (0.37) TSHRCNR2FBP1SMN1; SMN2KDM1A
SCHEMBL31255306 0.81 SYK (0.36) TSHRCYP17A1CNR2KDM4ERECQL
SCHEMBL1404066 0.79 AAK1 (0.42) AAK1CNR2S1PR1S1PR3KDM4E
SCHEMBL323430 0.79 AAK1 (0.38) AAK1S1PR1S1PR3KDM4EKMT2A
SCHEMBL14910166 0.79 TSHR (0.40) TSHRCYP17A1KCNJ5KCNJ3KMT2A
SCHEMBL19313508 0.79 TSHR (0.40) TSHRCYP17A1KCNJ5KCNJ3KMT2A
SCHEMBL21030615 0.79 PLAU (0.47) TSHRCYP17A1KCNJ5KCNJ3SMN1; SMN2
SCHEMBL21513348 0.78 KDM4E (0.48) TSHRAAK1KDM4EKMT2AMEN1

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 12 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
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-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
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 TSHR 2656/4885AAK1 1400/4885CYP17A1 612/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A TSHR 2656/4885AAK1 1400/4885CYP17A1 612/4885

“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.