SCHEMBL828859

SCHEMBL828859

CC(C)n1c(=O)[nH]c2nc(Br)c(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
PGR P06401 9/20 0.38
MTOR P42345 1/20 0.36
PDE2A O00408 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2B6 P20813 1/20 0.34
MAOB P27338 1/20 0.33
FLT3 P36888 1/20 0.33
KCNH2 Q12809 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 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
SCHEMBL12232070 0.79 PDE3B (0.55) PDE2APDE3BPDE3ACYP3A4
SCHEMBL19836475 0.75 AURKA (0.42) POLBPGRMTORMAOBPIM1
SCHEMBL31425656 0.70 PGR (0.43) POLBPGRMTORCYP3A4CYP2B6
SCHEMBL9963175 0.70 POLB (0.46) POLBPGRMTORPDE2APDE3B
SCHEMBL17807828 0.69 MAOB (0.44) POLBPGRMTORCYP3A4CYP2B6
SCHEMBL15749623 0.66 POLB (0.49) POLBPGRMAOB
SCHEMBL15740791 0.66 POLB (0.49) POLBPGRMAOB
SCHEMBL481934 0.66 MTOR (0.58) POLBMTORCYP3A4CYP2B6
SCHEMBL1496451 0.65 POLB (0.56) POLBPGR
SCHEMBL20987129 0.65 PGR (0.60) POLBPGRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (5 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 POLB 3196/4885PGR 97/4885MTOR 1595/4885
US-20130053570-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR POLB 3315/4885PGR 92/4885MTOR 1922/4885
US-20090258866-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR POLB 3196/4885PGR 97/4885MTOR 1595/4885
US-20130096130-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR POLB 3315/4885PGR 92/4885MTOR 1922/4885
US-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR POLB 3315/4885PGR 92/4885MTOR 1922/4885

“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.