SCHEMBL3700927

SCHEMBL3700927

CC(C)(C)OC(=O)N1CCCC(n2cc(C(=O)O)c(=O)c3cc(Br)cnc32)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.42
EGFR P00533 3/20 0.42
FPR2 P25090 2/20 0.42
ABL1 P00519 2/20 0.39
ABL2 P42684 2/20 0.39
HCAR1 Q9BXC0 1/20 0.39
HPGDS O60760 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
NR3C1 P04150 2/20 0.36
PIK3CA P42336 1/20 0.36
USP30 Q70CQ3 1/20 0.36
BTK Q06187 1/20 0.36
CHRNA7 P36544 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
PIK3CG P48736 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3806987 0.89 KMT2A (0.40) SRCEGFRFPR2KDM4E
SCHEMBL5962117 0.89 KMT2A (0.40) SRCEGFRFPR2KDM4E
SCHEMBL3806989 0.89 KMT2A (0.40) SRCEGFRFPR2KDM4E
SCHEMBL3701485 0.84 PIK3CG (0.41) SRCEGFRFPR2ABL1ABL2
SCHEMBL23625716 0.84 SRC (0.44) SRCEGFRFPR2ABL1ABL2
SCHEMBL29209434 0.79 KDM4E (0.44) PIK3CAPIK3CGKDM4E
SCHEMBL20520825 0.78 USP30 (0.49) SRCEGFRABL1ABL2NR3C1
SCHEMBL29209496 0.78 HTR3A (0.36) NR3C1JAK1PIK3CG
SCHEMBL2991284 0.77 KDM4E (0.44) SRCEGFRFPR2HCAR1PIK3CA
SCHEMBL3696932 0.76 CNR2 (0.41) KDM4E

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 4 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
CN-102448962-A Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB 2012-05-09 CN 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 SRC 3494/4885EGFR 2376/4885FPR2 1650/4885

“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.