SCHEMBL2486922

SCHEMBL2486922

COCCc1ccc(-c2cnc3c(N4CCOCC4)nccn23)cn1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.58
PDE6A P16499 2/20 0.58
PDE1B Q01064 2/20 0.58
PDE3A Q14432 2/20 0.58
PDE2A O00408 1/20 0.52
PDE8A O60658 1/20 0.52
PDE9A O76083 1/20 0.52
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE7A Q13946 1/20 0.52
PDE11A Q9HCR9 1/20 0.52
PDE10A Q9Y233 1/20 0.52

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
SCHEMBL30123159 0.83
SCHEMBL2483047 0.83
SCHEMBL2484196 0.83
SCHEMBL2482313 0.81
SCHEMBL2483757 0.81 GRIA1 (0.58)
SCHEMBL2482955 0.81
SCHEMBL1820734 0.79 PDE10A (0.71) PDE5APDE6APDE1BPDE3APDE2A
SCHEMBL2484489 0.78
SCHEMBL2487528 0.78 GRIA1 (0.64) PDE5APDE6APDE1BPDE3A
SCHEMBL3467020 0.76 PDE5A (0.60) PDE5APDE6APDE1BPDE3A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (1 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 PDE5A 3/4885PDE6A 22/4885PDE1B 10/4885

“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.