SCHEMBL19069631

SCHEMBL19069631

CC(C)N1CCc2ncccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.43
▸ XIAP P98170 1/20 0.38
▸ BIRC2 Q13490 1/20 0.38
▸ GSK3B P49841 3/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ GSK3A P49840 2/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CRBN Q96SW2 1/20 0.33
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL14867079 0.80 BRD4 (0.44) GRM5GSK3BPDE3BPDE3AGSK3A
SCHEMBL828633 0.77 GSK3B (0.36) GSK3BPDE3BPDE3AGSK3ACDK5
SCHEMBL21144746 0.76 GRM5 (0.60) GRM5
SCHEMBL2603742 0.75 BRD4 (0.49) BRD4
SCHEMBL6124130 0.74 GRM5 (0.42) GRM5
SCHEMBL2233893 0.71 NPC1 (0.50) GSK3BPDE3BPDE3AGSK3ACDK5
SCHEMBL30493623 0.71 NPC1 (0.50) GSK3BPDE3BPDE3AGSK3ACDK5
SCHEMBL17881393 0.70 BRD4 (0.54) GSK3BPDE3BPDE3AGSK3ACDK5
SCHEMBL22049622 0.70 PDE2A (0.44) GSK3BPDE3BPDE3AGSK3ACDK5
SCHEMBL13999790 0.70 MAPK1 (0.39) GRM5BRD4DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030057-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-01 — — US disclosed
US-9695176-B2 Substituted imidazo[1,5-a]pyrazines as CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-04 — — US 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-20180030057-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, BDKRB2 GRM5 109/4885XIAP 2704/4885BIRC2 2314/4885

“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.

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