SCHEMBL3432499

SCHEMBL3432499

CCNC(=O)Nc1cc(-c2nc(C)c(C(=O)NCCN3CCOCC3)s2)c(-c2cncc(-c3nnc(C)o3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
MAPK1 P28482 1/20 0.39
ABL1 P00519 2/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL3432502 0.94 ABL1 (0.40) GSK3BDYRK1AABL1
SCHEMBL2135000 0.92 GSK3B (0.40) GSK3BDYRK1AMAPK1ABL1TSHR
SCHEMBL3433493 0.89 MAPK1 (0.37) MAPK1ABL1TSHR
SCHEMBL3431870 0.88 MAPK1 (0.40) MAPK1ABL1
SCHEMBL3433508 0.87 KIFC1 (0.39) ABL1
SCHEMBL3432760 0.86 ABL1 (0.40) MAPK1ABL1TSHRALDH1A1CYP1A2
SCHEMBL2133577 0.86 FGFR1 (0.38) ABL1
SCHEMBL3432511 0.85 MAP2K1 (0.37)
SCHEMBL3433505 0.84 KIFC1 (0.35)
SCHEMBL2135119 0.84 GSK3B (0.41) GSK3BDYRK1AMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 GSK3B 3336/4885DYRK1A 3966/4885MAPK1 2843/4885

“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.