SCHEMBL4770475

SCHEMBL4770475

Cc1ncc(C=S)c(F)n1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL28811932 0.75 PDK2 (0.37) PDK2PDK4
SCHEMBL4832458 0.75 LMNA (0.43)
SCHEMBL3533350 0.73 IKBKB (0.30)
SCHEMBL6336909 0.71 AURKA (0.45)
SCHEMBL12127317 0.70
SCHEMBL4829937 0.69 PDK2 (0.36) PDK2PDK4
SCHEMBL6617995 0.69 ALDH1A1 (0.36) PDK2PDK4
SCHEMBL4186011 0.67 GABBR2 (0.43)
SCHEMBL6653332 0.67
SCHEMBL5230508 0.66 EGFR (0.42)

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
US-7449472-B2 Methods of inhibiting p38 with substituted bicyclic pyrimidines ROCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7439247-B2 Bicyclic pyridine and pyrimidine P38 kinase inhibitors ROCHE PALO ALTOP LLC (US) 2008-10-21 US disclosed
EP-1485390-B1 BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7091347-B2 Bicyclic pyridine and pyrimidine p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2006-08-15 US disclosed
US-20060084803-A1 Bicyclic pyridine and pyrimidine P38 kinase inhibitors CHEN JIAN J 2006-04-20 US disclosed
US-20050288312-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors CHEN JIAN J 2005-12-29 US disclosed
EP-1485390-A1 BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS F. Hoffman-la Roche AG (CH) 2004-12-15 EP disclosed
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors ROCHE PALO ALTO LLC 2003-11-06 US disclosed
WO-2003074530-A1 BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2003-09-12 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 (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-20050288312-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors MAPK1, MAP3K1, MAP3K8 PDK2 144/4885PDK4 480/4885
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors MAPK1, MAP3K1, MAPKAPK2 PDK2 182/4885PDK4 523/4885
US-20060084803-A1 Bicyclic pyridine and pyrimidine P38 kinase inhibitors MAPK1, MAP3K1, MAP3K8 PDK2 144/4885PDK4 480/4885

“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.