SCHEMBL2502879

SCHEMBL2502879

CCC(NC(=O)O)C(=O)Nc1cccc(C(F)(F)F)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
MAPK1 P28482 1/20 0.50
EPHX2 P34913 2/20 0.42
CTSS P25774 3/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
KCNQ2 O43526 1/20 0.39
HSPA5 P11021 1/20 0.38
TSHR P16473 1/20 0.38
CTSK P43235 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 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
SCHEMBL2507744 0.85 POLB (0.49) POLBMAPK1CTSSKCNQ2CTSK
SCHEMBL2507743 0.85 POLB (0.49) POLBMAPK1CTSSKCNQ2CTSK
SCHEMBL2511238 0.78 POLB (0.43) POLBMAPK1EPHX2CTSSALDH1A1
SCHEMBL2508791 0.78 HSD17B10 (0.41) KDM4EKMT2AKCNQ2TSHRCYP1A2
SCHEMBL2508228 0.77 EPHX2 (0.42) POLBMAPK1EPHX2ALDH1A1MEN1
SCHEMBL30977689 0.74 HDAC1 (0.47) POLBMAPK1TAS2R14ALDH1A1KDM4E
SCHEMBL19638054 0.74 HDAC1 (0.47) POLBMAPK1TAS2R14ALDH1A1KDM4E
SCHEMBL12265589 0.74 ALDH1A1 (0.56) POLBMAPK1EPHX2ALDH1A1KDM4E
SCHEMBL326866 0.73 GAA (0.54) MAPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15597950 0.73 POLB (0.48) POLBMAPK1CTSSCTSKCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 POLB 1278/4885MAPK1 1094/4885EPHX2 3418/4885

“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.