SCHEMBL4167491

SCHEMBL4167491

CC(C)(C)OC(=O)NCCC(=O)Nc1cncc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
HDAC4 P56524 1/20 0.46
SUV39H2 Q9H5I1 2/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 3/20 0.41
ABL1 P00519 1/20 0.41
PDGFRB P09619 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPK14 Q16539 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL24568066 0.85 CA1 (0.39) CA1CA2HDAC4SUV39H2KDM4E
SCHEMBL6854719 0.84 BCHE (0.44) SUV39H2CYP3A4CYP1A2CYP2C19NAMPT
SCHEMBL22573885 0.84 HDAC4 (0.48) HDAC4KDM4ECYP3A4EGFRCYP1A2
SCHEMBL2559296 0.83 CA1 (0.46) CA1CA2SUV39H2KDM4EPOLB
SCHEMBL1502539 0.83 NAMPT (0.48) CA1HDAC4KDM4EPOLBCYP3A4
SCHEMBL3730706 0.82 HDAC4 (0.51) HDAC4KDM4EPOLBCYP3A4CYP1A2
SCHEMBL4752807 0.81 CA1 (0.59) CA1CA2SUV39H2CYP3A4EGFR
SCHEMBL4757472 0.81 CA1 (0.59) CA1CA2POLBUSP2LMNA
SCHEMBL3081630 0.79 NAMPT (0.61) CA1CA2HDAC4POLBCYP3A4
SCHEMBL24568100 0.79 HDAC4 (0.53) HDAC4KDM4EPOLBCYP3A4CYP1A2

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-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CA1 4127/4885CA2 1522/4885HDAC4 1958/4885

“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.