SCHEMBL2135642

SCHEMBL2135642

CCNC(=O)Nc1ncc(-c2cncc(C(=O)OCC)c2)c(-c2nc(-c3cccc(OC)n3)cs2)c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.37
EIF4E P06730 1/20 0.35
CNR1 P21554 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
BRAF P15056 1/20 0.34
PFKFB3 Q16875 1/20 0.34
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34

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
SCHEMBL2132617 0.90 CYP19A1 (0.41) CDK5CDK5R1KDM4EMAPT
SCHEMBL1506077 0.89 NPC1 (0.37) CDK5CDK5R1
SCHEMBL1554037 0.88 MAPT (0.40) KDM4EMAPTFGFR1SRC
SCHEMBL2135636 0.88
SCHEMBL2134704 0.88 CDK5 (0.41) CDK5CDK5R1
SCHEMBL2131025 0.84 NPC1 (0.37) CDK5CDK5R1
SCHEMBL2132961 0.83 CDK5 (0.36) CDK5CDK5R1
SCHEMBL2133723 0.83 MAPK1 (0.38) KDM4EMAPTFGFR1SRCFGFR3
SCHEMBL1505684 0.82 PKM (0.38) CDK5CDK5R1KDM4EMAPT
SCHEMBL1553153 0.82 KDM4E (0.36) KDM4EMAPT

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 TGFBR1 4411/4885EIF4E 651/4885CNR1 1255/4885

“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.