SCHEMBL1818218

SCHEMBL1818218

COC(C)(C)Cc1ccc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
ATM Q13315 1/20 0.34
GRM2 Q14416 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DGAT1 O75907 1/20 0.31
TSHR P16473 1/20 0.31
PLAU P00749 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30

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
SCHEMBL12162565 0.81 GBA1 (0.46) GBA1ATMGRM2MBOAT4ALDH1A1
SCHEMBL12017385 0.80 CCR1 (0.39) KDM4ERAB9APLAUADRA2AADRA2B
SCHEMBL19313404 0.79 APP (0.30)
SCHEMBL1820902 0.78 GBA1 (0.43) GBA1GRM2MBOAT4SIRT2ALDH1A1
SCHEMBL27933780 0.75 GBA1 (0.41) GBA1GRM2MBOAT4SIRT2ALDH1A1
SCHEMBL1821132 0.74 GBA1 (0.40) GBA1ATMALDH1A1KDM4ENPC1
SCHEMBL23148799 0.73 GBA1 (0.41) GBA1ATMGRM2MBOAT4SIRT2
SCHEMBL31207468 0.73 GBA1 (0.41) GBA1ATMGRM2MBOAT4SIRT2
SCHEMBL1855342 0.73 GBA1 (0.46) GBA1ATMGRM2MBOAT4ALDH1A1
SCHEMBL29593341 0.72 ALDH1A1 (0.41) GBA1GRM2MBOAT4SIRT2ALDH1A1

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 17 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-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-8716282-B2 Imidazo[1,2-b]pyridazine derivatives and their use as PDE10 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-06 US 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-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
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-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 246/4885ATM 2760/4885GRM2 633/4885
US-20120220581-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A GBA1 409/4885ATM 3057/4885GRM2 1261/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A GBA1 409/4885ATM 3057/4885GRM2 1261/4885

“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.