SCHEMBL1821132

SCHEMBL1821132

COC(C)(C)COc1ccc(Br)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GABRA5 P31644 2/20 0.38
DGAT1 O75907 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.33
HSD11B1 P28845 2/20 0.31
HSD11B2 P80365 1/20 0.31
LSS P48449 1/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 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
SCHEMBL1403884 0.81 KDM4E (0.43) GBA1KDM4EGABRA5DGAT1L3MBTL1
SCHEMBL6937585 0.81 CCR1 (0.38) KDM4EGABRA5DGAT1L3MBTL1NPC1
SCHEMBL2461154 0.77 L3MBTL1 (0.56) KDM4EGABRA5L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL18402510 0.77 KDM4E (0.38) GBA1KDM4EGABRA5DGAT1L3MBTL1
SCHEMBL374769 0.76 DGAT1 (0.58) KDM4EDGAT1L3MBTL1NPC1ALDH1A1
SCHEMBL16787910 0.76 KDM4E (0.45) KDM4EDGAT1L3MBTL1HSD11B1HSD11B2
SCHEMBL20195261 0.75 KDM4E (0.40) GBA1KDM4EGABRA5DGAT1L3MBTL1
SCHEMBL25359068 0.74 KDM4E (0.42) GBA1KDM4EGABRA5DGAT1ATM
SCHEMBL30729152 0.74 KDM4E (0.42) GBA1KDM4EGABRA5DGAT1ATM
SCHEMBL19496150 0.74 ALDH1A1 (0.47) KDM4EL3MBTL1NPC1ALDH1A1GAA

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 23 patents — showing the first 20. 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
EP-2545055-B1 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2017-08-09 EP disclosed
EP-2545055-B1 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2017-08-09 EP disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 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
EP-2545055-A1 IMIDAZO [1, 2 -A]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES Janssen Pharmaceutica, N.V. (BE) 2013-01-16 EP disclosed
US-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV 2012-12-27 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-2011110545-A1 IMIDAZO [1, 2 -A] PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV (BE) 2011-09-15 WO disclosed
WO-2011110545-A1 IMIDAZO [1, 2 -A] PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV (BE) 2011-09-15 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
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 (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-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES PDE12, PDE10A, PDE5A GBA1 246/4885KDM4E 1959/4885GABRA5 634/4885
US-20120220581-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A GBA1 409/4885KDM4E 1454/4885GABRA5 652/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A GBA1 409/4885KDM4E 1454/4885GABRA5 652/4885

“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.