SCHEMBL3726316

SCHEMBL3726316

CCOC(=O)c1cn(C2CCCN(CCN3CCOCC3)C2)c2cnc(Br)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
RAD52 P43351 2/20 0.39
UHRF1 Q96T88 1/20 0.39
POLB P06746 3/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL5962180 1.00 RXFP1 (0.43) RXFP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5962179 0.89 LMNA (0.38) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL5962181 0.89 LMNA (0.38) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL3704534 0.88 KDM4E (0.39) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL5962119 0.85 RXFP1 (0.46) RXFP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3696499 0.83 LMNA (0.46) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL5962241 0.83 ALDH1A1 (0.52) RXFP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5962235 0.82 LMNA (0.48) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL3701955 0.82 LMNA (0.46) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL6033107 0.81 TP53 (0.38) ALDH1A1KDM4EHSD17B10HPGDKMT2A

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 6 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-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
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
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 RXFP1 4237/4885ALDH1A1 847/4885KDM4E 2695/4885

“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.