SCHEMBL2487528

SCHEMBL2487528

COCCn1cc(-c2cnc3c(N4CCOCC4)nccn23)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.64
CACNG8 Q8WXS5 1/20 0.64
PDE5A O76074 1/20 0.58
PDE6A P16499 1/20 0.58
PDE1B Q01064 1/20 0.58
PDE3A Q14432 1/20 0.58

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
SCHEMBL2484034 0.83 GRIA1 (0.74) GRIA1CACNG8
SCHEMBL14322630 0.83 GRIA1 (0.73) GRIA1CACNG8
SCHEMBL14322700 0.83 GRIA1 (0.73) GRIA1CACNG8
SCHEMBL2510245 0.82 PDE5A (0.53) GRIA1CACNG8PDE5APDE6APDE1B
SCHEMBL14330969 0.81 GRIA1 (0.71) GRIA1CACNG8
SCHEMBL2483187 0.81 GRIA1 (0.70) GRIA1CACNG8
SCHEMBL2482300 0.81 GRIA1 (0.70) GRIA1CACNG8
SCHEMBL14322721 0.81 GRIA1 (0.70) GRIA1CACNG8
SCHEMBL6938354 0.79 GRIA1 (0.68) GRIA1CACNG8
SCHEMBL2481790 0.78 GRIA1 (0.67) GRIA1CACNG8

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 GRIA1 562/4885CACNG8 3480/4885PDE5A 3/4885

“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.