SCHEMBL3702572

SCHEMBL3702572

CCOC(=O)c1cn(C2CC2)c2ncc(Br)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
OPRK1 P41145 6/20 0.45
ADRB2 P07550 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRB2 P47870 1/20 0.42
ELANE P08246 1/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4B Q07343 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5962194 0.91 LMNA (0.46) LMNAOPRK1ADRB2GABRA1GABRB1
SCHEMBL5962120 0.88 LMNA (0.42) LMNAOPRK1ADRB2GABRA1GABRB1
SCHEMBL22010180 0.85 ADRB2 (0.43) LMNAADRB2ELANEPOLBKMT2A
SCHEMBL29209496 0.85 HTR3A (0.36) OPRK1GABRA1GABRA3
SCHEMBL21815626 0.83 LMNA (0.53) LMNAOPRK1GABRA1GABRB1GABRA3
SCHEMBL29209434 0.83 KDM4E (0.44) LMNAALDH1A1
SCHEMBL5962117 0.82 KMT2A (0.40) LMNAOPRK1POLBKMT2AALDH1A1
SCHEMBL5962119 0.82 RXFP1 (0.46) OPRK1POLBKMT2APDE4BALDH1A1
SCHEMBL3806989 0.82 KMT2A (0.40) LMNAOPRK1POLBKMT2AALDH1A1
SCHEMBL3806987 0.82 KMT2A (0.40) LMNAOPRK1POLBKMT2AALDH1A1

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 7 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-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
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 1199/4885ADRB2 2173/4885

“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.