SCHEMBL828249

SCHEMBL828249

CC(C)N1Cc2cnccc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
MAPK1 P28482 11/20 0.38
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
TIPARP Q7Z3E1 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
SCHEMBL16846521 0.79 BRD4 (0.59) PDE3BPDE3AMAPK1BRD4CREBBP
SCHEMBL828518 0.77 BRD4 (0.61) XIAPBIRC2MAPK1BRD4CREBBP
SCHEMBL13806532 0.76 PDE3B (0.41) PDE3BPDE3ABRD4CREBBPCDK5
SCHEMBL14098808 0.74 MAPK1 (0.46) MAPK1
SCHEMBL9259806 0.74 IDH1 (0.43) XIAPPDE3BPDE3AMITFALDH1A1
SCHEMBL9252937 0.73 TIPARP (0.37) PDE3BPDE3AMITFALDH1A1LMNA
SCHEMBL9252931 0.73 TIPARP (0.37) PDE3BPDE3AMITFALDH1A1LMNA
SCHEMBL9259830 0.72 SIGMAR1 (0.42) MITFALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL9261369 0.72 SIGMAR1 (0.42) MITFALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL13757367 0.72 MAPK1 (0.43) XIAPBIRC2MAPK1BRD4CDK5

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 13 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
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 XIAP 1800/4885BIRC2 3184/4885PDE3B 197/4885
US-20180030057-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, BDKRB2 XIAP 2704/4885BIRC2 2314/4885PDE3B 257/4885
US-20130053570-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR XIAP 2051/4885BIRC2 3594/4885PDE3B 184/4885
US-20090258866-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR XIAP 1800/4885BIRC2 3184/4885PDE3B 197/4885
US-20130096130-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR XIAP 2051/4885BIRC2 3594/4885PDE3B 184/4885
US-20150274734-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, BDKRB2, CALCR XIAP 2009/4885BIRC2 3104/4885PDE3B 266/4885
US-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR XIAP 2051/4885BIRC2 3594/4885PDE3B 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.