SCHEMBL6033352

SCHEMBL6033352

CCOC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c2cnc(Br)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BTK Q06187 1/20 0.38
FPR2 P25090 1/20 0.38
HCAR1 Q9BXC0 1/20 0.37
PIK3CA P42336 1/20 0.35
EZH2 Q15910 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
SCHEMBL6033107 1.00 TP53 (0.38) TP53POLBGPR119KMT2AMEN1
SCHEMBL3701485 0.89 PIK3CG (0.41) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3806989 0.85 KMT2A (0.40) TP53POLBGPR119KMT2AMEN1
SCHEMBL5962117 0.85 KMT2A (0.40) TP53POLBGPR119KMT2AMEN1
SCHEMBL3806987 0.85 KMT2A (0.40) TP53POLBGPR119KMT2AMEN1
SCHEMBL1431582 0.84 MEN1 (0.41) TP53POLBGPR119KMT2AMEN1
SCHEMBL13080502 0.84 MEN1 (0.41) TP53POLBGPR119KMT2AMEN1
SCHEMBL13080505 0.84 MEN1 (0.41) TP53POLBGPR119KMT2AMEN1
SCHEMBL3696499 0.83 LMNA (0.46) TP53KMT2AMEN1HPGDALDH1A1
SCHEMBL5962235 0.82 LMNA (0.48) TP53POLBKMT2AMEN1HPGD

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 TP53 1612/4885POLB 863/4885GPR119 2420/4885

“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.