SCHEMBL4902878

SCHEMBL4902878

CSc1nc(-c2cccc(C(F)F)c2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 7/20 0.58
TSHR P16473 1/20 0.55
BRAF P15056 11/20 0.48
PDE4A P27815 7/20 0.48
PDE4B Q07343 7/20 0.48
PDE4C Q08493 7/20 0.48
PDE4D Q08499 7/20 0.48
FSHR P23945 1/20 0.47
IKBKB O14920 1/20 0.46

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
SCHEMBL4421145 0.86 BRAF (0.62) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4421173 0.85 LHCGR (0.75) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL2132337 0.85 LHCGR (0.60) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL6217652 0.84 LIMK1 (0.58) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4430436 0.84 LHCGR (0.77) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4908972 0.82 BRAF (0.46) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4906655 0.82 BRAF (0.54) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4433012 0.82 LHCGR (0.67) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL5135399 0.82 BRAF (0.49) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4906981 0.81 LHCGR (0.56) LHCGRTSHRBRAFPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
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
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO 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 LHCGR 2693/4885TSHR 1074/4885BRAF 3/4885

“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.