SCHEMBL4423554

SCHEMBL4423554

CN(C)C(=O)Nc1cccc(-c2nc(-c3ccccc3)nc3sc(C(N)=O)c(N)c23)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.58
IKBKB O14920 1/20 0.48
PDE4A P27815 5/20 0.48
PDE4B Q07343 5/20 0.48
PDE4C Q08493 5/20 0.48
PDE4D Q08499 5/20 0.48
LIMK1 P53667 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL4426367 0.88 LHCGR (0.55) BRAFMAPTMEN1KMT2A
SCHEMBL5024685 0.85 BRAF (0.58) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL4419064 0.82 BRAF (0.64) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL5026134 0.81 BRAF (0.51) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL4425936 0.81 BRAF (0.58) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL4425219 0.81 BRAF (0.55) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL5026948 0.79 BRAF (0.52) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4421671 0.78 BRAF (0.51) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL6217358 0.78 LHCGR (0.57) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL5026192 0.76 BRAF (0.48) BRAFIKBKBPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 US claimed
US-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 US disclosed
EP-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 EP disclosed
US-20070197527-A1 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-08-23 US disclosed
US-7229990-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-06-12 US disclosed
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 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 (2 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-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR BRAF 4474/4885IKBKB 1808/4885PDE4A 1417/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR BRAF 4242/4885IKBKB 2570/4885PDE4A 1703/4885

“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.