SCHEMBL4909708

SCHEMBL4909708

Cc1nc(-c2cccc(N)c2)c2c(N)c(C(N)=S)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.52
PDE4A P27815 6/20 0.52
PDE4B Q07343 6/20 0.52
PDE4C Q08493 6/20 0.52
PDE4D Q08499 6/20 0.52
IKBKB O14920 1/20 0.42
LHCGR P22888 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL5025976 0.91 BRAF (0.49) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5025998 0.85 BRAF (0.46) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4902884 0.85 BRAF (0.39) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4904202 0.82 BRAF (0.61) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5025983 0.80 BRAF (0.49) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6219075 0.79 MEN1 (0.46) IKBKBMEN1KMT2A
SCHEMBL4419271 0.78 LHCGR (0.53) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907129 0.76 BRAF (0.56) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6110243 0.75 IKBKB (0.64) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907258 0.75 BRAF (0.41) BRAFPDE4APDE4BPDE4CPDE4D

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 9 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-7375109-B2 Glycine-substituted thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-05-20 US disclosed
US-7317006-B2 Thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-01-08 US 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
EP-1427733-B1 THIENO[2,3-D]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY ORGANON NV (NL) 2006-11-15 EP disclosed
EP-1427734-B1 GLYCINE-SUBSTITUTED THIENO[2,3-d]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY AKZO NOBEL NV (NL) 2005-11-09 EP disclosed
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity MERCK SHARP & DOHME B.V. (NL) 2004-09-16 US disclosed
US-20040180873-A1 Thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity MERCK SHARP & DOHME B.V. (NL) 2004-09-16 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 (3 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 BRAF 3/4885PDE4A 1/4885PDE4B 2/4885
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR BRAF 4677/4885PDE4A 638/4885PDE4B 915/4885
US-20040180873-A1 Thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR BRAF 4516/4885PDE4A 214/4885PDE4B 300/4885

“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.