SCHEMBL4829937

SCHEMBL4829937

CCNc1nc(C)ncc1C=S

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
PDK4 Q16654 2/20 0.36
PGK1 P00558 2/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3533350 0.79 IKBKB (0.30)
SCHEMBL17011479 0.74 ALDH1A1 (0.40) PDK2PDK4PGK1KDM4E
SCHEMBL4186011 0.72 GABBR2 (0.43)
SCHEMBL27602031 0.72 FOS (0.35) PDK2PDK4PGK1KDM4E
SCHEMBL6617995 0.71 ALDH1A1 (0.36) PDK2PDK4KDM4E
SCHEMBL5230508 0.71 EGFR (0.42) KDM4E
SCHEMBL4770475 0.69 PDK2 (0.30) PDK2PDK4
SCHEMBL4832458 0.69 LMNA (0.43) KDM4E
SCHEMBL6336909 0.69 AURKA (0.45)
SCHEMBL4825139 0.69 FOS (0.41) PGK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7320987-B2 6-Alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2008-01-22 US disclosed
EP-1539755-B1 6-ALKOXY-PYRIDO-PYRIMIDINES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-20070167484-A1 6-Alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M 2007-07-19 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
US-7196097-B2 6-alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US disclosed
US-20060276646-A1 6-alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M 2006-12-07 US disclosed
US-7105525-B2 6-alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2006-09-12 US disclosed
US-6965030-B2 6-alkoxy-pyrido-pyridine ROCHE PALO ALTO LLC (US) 2005-11-15 US disclosed
EP-1361880-B1 6-SUBSTITUTED PYRIDO-PYRIMIDINES HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
US-20050203300-A1 6-Alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M (US) 2005-09-15 US disclosed
US-20040116698-A1 6-Substituted pyrido-pyrimidines CHEN JIAN JEFFREY (US) 2004-06-17 US disclosed
US-20040038999-A1 6-alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC 2004-02-26 US disclosed
US-6696566-B2 SELECTIVE P38 KINASE INHIBITORS RELATIVE TO CYCLIN-DEPENDENT KINASES AND TYROSINE KINASES SYNTEX (U.S.A.) LLC 2004-02-24 US disclosed
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. SYNTEX (U.S.A.) LLC 2003-09-11 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 (6 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-20070135458-A1 6-Substituted pyrido-pyrimidines P2RX6, P2RX1, P2RX7 PDK2 846/4885PDK4 1978/4885PGK1 1769/4885
US-20040038999-A1 6-alkoxy-pyrido-pyrimidines CYP2B6, CYP2D6, CNR1 PDK2 2125/4885PDK4 3253/4885PGK1 2179/4885
US-20060276646-A1 6-alkoxy-pyrido-pyrimidines PDXK, PNPO, CYP2D6 PDK2 482/4885PDK4 796/4885PGK1 683/4885
US-20050203300-A1 6-Alkoxy-pyrido-pyrimidines CCNO, CCNY, PNPO PDK2 1075/4885PDK4 1253/4885PGK1 2431/4885
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. ARRB1, MAPK1, MAPK8 PDK2 1506/4885PDK4 2262/4885PGK1 1045/4885
US-20070167484-A1 6-Alkoxy-pyrido-pyrimidines CCNO, PNPO, CYP2B6 PDK2 1206/4885PDK4 1706/4885PGK1 2392/4885

“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.