SCHEMBL5962085

SCHEMBL5962085

CCOC(=O)c1cn(CCC2CCN(C)CC2)c2ncc(Br)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
OPRK1 P41145 6/20 0.42
HPGD P15428 3/20 0.41
CSF1R P07333 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRB2 P47870 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL3706246 0.92 LMNA (0.48) LMNAOPRK1HPGDCSF1RKMT2A
SCHEMBL29705155 0.85 LMNA (0.48) LMNAOPRK1HPGDKMT2AMAPT
SCHEMBL3693779 0.83 LMNA (0.55) LMNAOPRK1HPGDKMT2AMAPT
SCHEMBL3696586 0.82 LMNA (0.64) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL20243507 0.81 LMNA (0.53) LMNAOPRK1HPGDKMT2AMAPT
SCHEMBL5962193 0.81 RXFP1 (0.53) LMNAHPGDKMT2AMEN1TSHR
SCHEMBL3695562 0.81 LMNA (0.52) LMNAOPRK1KMT2AMAPTMEN1
SCHEMBL3701745 0.80 HPGD (0.42) LMNAHPGDCSF1RKMT2AMAPT
SCHEMBL20520988 0.79 LMNA (0.53) LMNAOPRK1HPGDKMT2AMAPT
SCHEMBL29705153 0.79 LMNA (0.53) LMNAOPRK1HPGDKMT2AMAPT

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 5 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

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 LMNA 2498/4885OPRK1 1199/4885HPGD 121/4885

“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.