SCHEMBL4906524

SCHEMBL4906524

CSc1nc(-c2ccc(Cl)c(Cl)c2)c2cc(C(C)(C)O)sc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
RIPK2 O43353 1/20 0.34
LHCGR P22888 5/20 0.34
BRAF P15056 5/20 0.33
PDE4A P27815 5/20 0.33
PDE4B Q07343 5/20 0.33
PDE4C Q08493 5/20 0.33
PDE4D Q08499 5/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CASR P41180 1/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL4904105 0.81 BRAF (0.52) KDM4ERIPK2BRAFPDE4APDE4B
SCHEMBL4911950 0.80 LMNA (0.40) KDM4ERIPK2BRAFPDE4APDE4B
SCHEMBL4909700 0.76 TEAD2 (0.41) KDM4ELHCGRTSHRALDH1A1HPGD
SCHEMBL4899220 0.68 BRAF (0.61) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4904192 0.68 BRAF (0.74) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4906890 0.65 HSP90AB1 (0.51) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL4903971 0.64 KMT2A (0.53) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL4906040 0.64 CYP1A2 (0.71) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL5461955 0.64 KDM4E (0.43) KDM4EALDH1A1MAPTRAB9A
SCHEMBL4907427 0.63 BRAF (0.55) KDM4ELHCGRBRAFPDE4APDE4B

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 KDM4E 2429/4885RIPK2 2360/4885LHCGR 2693/4885

“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.