SCHEMBL4907235

SCHEMBL4907235

CCOC(=O)c1cc2c(-c3ccc(Cl)c(Cl)c3)nc(N)nc2s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 12/20 0.56
BRAF P15056 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
TEAD2 Q15562 1/20 0.45
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
RCE1 Q9Y256 1/20 0.42
HSP90AA1 P07900 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL13109969 0.89 HSP90AB1 (0.70) HSP90AB1DHODH
SCHEMBL13109525 0.87 HSP90AB1 (0.57) HSP90AB1KDM4EPKM
SCHEMBL13109530 0.86 HSP90AB1 (0.55) HSP90AB1PDE4APDE4BPDE4CPDE4D
SCHEMBL17355415 0.86 HSP90AB1 (0.56) HSP90AB1KDM4EPKM
SCHEMBL4909700 0.85 TEAD2 (0.41) HSP90AB1TEAD2DHODHKDM4EPKM
SCHEMBL13109522 0.85 HSP90AB1 (0.55) HSP90AB1KDM4EPKM
SCHEMBL4909743 0.85 TEAD2 (0.43) HSP90AB1TEAD2DHODHKDM4EPKM
SCHEMBL3322113 0.84 HSP90AB1 (0.69) HSP90AB1DHODHKDM4ECYP2C19
SCHEMBL14281568 0.84 HSP90AB1 (0.56) HSP90AB1BRAFPDE4APDE4BPDE4C
SCHEMBL13109767 0.84 HSP90AB1 (0.60) HSP90AB1KDM4EHSP90AA1CYP2C19

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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF HSP90AB1 1347/4885BRAF 3/4885PDE4A 1/4885

“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.