SCHEMBL6936541

SCHEMBL6936541

CC(C)c1cn2ccnc(Cl)c2n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PTGER1 P34995 1/20 0.33
ROCK1 Q13464 1/20 0.32
HTR4 Q13639 2/20 0.32
AURKA O14965 1/20 0.30
KCNH2 Q12809 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
SCHEMBL17775994 0.77 L3MBTL1 (0.39) L3MBTL1HCRTR1HCRTR2HTR4AURKA
SCHEMBL24995375 0.77 L3MBTL1 (0.42) L3MBTL1HCRTR1HCRTR2HTR4AURKA
SCHEMBL29297543 0.77 TNKS (0.33) L3MBTL1HCRTR1HCRTR2HTR4
SCHEMBL2179459 0.77 L3MBTL1 (0.41) L3MBTL1HCRTR2ROCK1AURKA
SCHEMBL26937867 0.76 NUDT1 (0.50) L3MBTL1HCRTR1HCRTR2AURKA
Bromide SCHEMBL17873904 0.75 L3MBTL1 (0.40) L3MBTL1ROCK1AURKA
SCHEMBL27114743 0.73 TNKS (0.36) L3MBTL1HCRTR1HCRTR2HTR4
SCHEMBL21376993 0.73 L3MBTL1 (0.36) L3MBTL1HCRTR1HCRTR2HTR4
SCHEMBL17321402 0.73 ROCK1 (0.43) L3MBTL1PTGER1ROCK1AURKA
SCHEMBL2871017 0.72 PDE10A (0.34) L3MBTL1ROCK1AURKAKCNH2

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
US-20180370973-A1 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-12-27 US 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
WO-2016101119-A1 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-30 WO disclosed
WO-2016106106-A2 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-30 WO disclosed
WO-2016106106-A2 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-30 WO 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-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
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
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

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-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 L3MBTL1 4459/4885HCRTR1 1852/4885HCRTR2 2185/4885
US-20180370973-A1 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR L3MBTL1 4347/4885HCRTR1 2/4885HCRTR2 1/4885

“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.