SCHEMBL828633

SCHEMBL828633

CC(C)(C)N1CCc2ncccc2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.36
▸ GSK3A P49840 3/20 0.36
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 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
▸ CYP1A2 P05177 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PRKCB P05771 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ OTUD7B Q6GQQ9 3/20 0.32

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) GSK3BGSK3APDE3BPDE3ACDK5
SCHEMBL19069631 0.77 GRM5 (0.43) GSK3BGSK3APDE3BPDE3ACDK5
SCHEMBL12230597 0.77 CRBN (0.38) GSK3BGSK3ACRBNOTUD7B
SCHEMBL828845 0.75 BRD4 (0.49) BRD4RIPK1
SCHEMBL14279926 0.74 KCNQ2 (0.36) TSHR
SCHEMBL2233893 0.71 NPC1 (0.50) GSK3BGSK3APDE3BPDE3ACDK5
SCHEMBL30493623 0.71 NPC1 (0.50) GSK3BGSK3APDE3BPDE3ACDK5
SCHEMBL17881393 0.70 BRD4 (0.54) GSK3BGSK3APDE3BPDE3ACDK5
SCHEMBL13999790 0.70 MAPK1 (0.39) BRD4CYP3A4TSHRNFKB1THPO
Hydrochloric Acid SCHEMBL5107756 0.69 MAPK1 (0.38) CYP3A4TSHRNFKB1THPOHIF1A

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 14 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-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
US-9695176-B2 Substituted imidazo[1,5-a]pyrazines as CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-04 — — US disclosed
US-20150274734-A1 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 — — US disclosed
US-8748429-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-10 — — US disclosed
US-20130096130-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 — — US disclosed
US-20130053570-A1 CGRP Receptor Antagonists BRISTOL MYERS SQUIBB CO (US) 2013-02-28 — — US disclosed
US-8314117-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 — — US disclosed
US-8143403-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-20120010402-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2012-01-12 — — US disclosed
US-8044043-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 — — US disclosed
US-20110251223-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2011-10-13 — — US disclosed
US-20090258866-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2009-10-15 — — 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 (7 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-20120010402-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR GSK3B 1058/4885GSK3A 1465/4885PDE3B 197/4885
US-20180030057-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, BDKRB2 GSK3B 2693/4885GSK3A 3038/4885PDE3B 257/4885
US-20130053570-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR GSK3B 1176/4885GSK3A 1527/4885PDE3B 184/4885
US-20090258866-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR GSK3B 1058/4885GSK3A 1465/4885PDE3B 197/4885
US-20130096130-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR GSK3B 1176/4885GSK3A 1527/4885PDE3B 184/4885
US-20150274734-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, BDKRB2, CALCR GSK3B 1326/4885GSK3A 1812/4885PDE3B 266/4885
US-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR GSK3B 1176/4885GSK3A 1527/4885PDE3B 184/4885

“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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