SCHEMBL3701745

SCHEMBL3701745

CCOC(=O)c1cn(CC2CCN(C)CC2)c2ncc(I)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CSF1R P07333 1/20 0.38
ELANE P08246 1/20 0.37
MAPK10 P53779 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PDE4B Q07343 1/20 0.36
ATM Q13315 1/20 0.36
DYRK1A Q13627 1/20 0.36

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 0.89 LMNA (0.48) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL20521055 0.87 HPGD (0.41) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3003778 0.83 HPGD (0.54) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3979515 0.83 LMNA (0.52) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5962085 0.80 LMNA (0.47) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL2996084 0.76 HPGD (0.53) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3695215 0.75 LMNA (0.40) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5962084 0.75 LMNA (0.69) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL4149885 0.75 LMNA (0.56) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5962115 0.74 LMNA (0.48) HPGDALDH1A1KDM4EHSD17B10LMNA

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 HPGD 121/4885ALDH1A1 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.