SCHEMBL3701485

SCHEMBL3701485

CC(C)(C)OC(=O)N1CCCC(n2cc(C(=O)O)c(=O)c3cc(Br)ncc32)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
FPR2 P25090 1/20 0.40
HCAR1 Q9BXC0 1/20 0.39
SRC P12931 3/20 0.38
EGFR P00533 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
HPGDS O60760 1/20 0.38
CYP1A2 P05177 1/20 0.37
TOP2A P11388 1/20 0.37
CYP2C9 P11712 1/20 0.37
TOP2B Q02880 1/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
ABL1 P00519 1/20 0.36

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
SCHEMBL6033352 0.89 TP53 (0.38) KDM4EALDH1A1FPR2HCAR1LMNA
SCHEMBL6033107 0.89 TP53 (0.38) KDM4EALDH1A1FPR2HCAR1LMNA
SCHEMBL3700927 0.84 SRC (0.42) PIK3CGKDM4EFPR2HCAR1SRC
SCHEMBL2991284 0.82 KDM4E (0.44) PIK3CGKDM4EALDH1A1FPR2HCAR1
SCHEMBL19114698 0.81 SRC (0.44) SRCEGFRPIK3CAPIK3CDABL1
SCHEMBL16608403 0.80 SRC (0.43) SRCEGFRPIK3CAPIK3CDABL1
SCHEMBL19114561 0.80 SRC (0.43) SRCEGFRPIK3CAPIK3CDABL1
SCHEMBL12985013 0.78 HCAR1 (0.50) ALDH1A1FPR2HCAR1SRCEGFR
SCHEMBL2731216 0.78 HCAR1 (0.50) ALDH1A1FPR2HCAR1SRCEGFR
SCHEMBL12984856 0.78 HCAR1 (0.50) ALDH1A1FPR2HCAR1SRCEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 US disclosed
WO-2010136817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-02 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-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 PIK3CG 3397/4885KDM4E 2695/4885ALDH1A1 847/4885

“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.