SCHEMBL5356797

SCHEMBL5356797

Cc1c(C(=O)NCCN2CCOCC2)cccc1-n1c(C)nc(OCc2ccc(F)cc2F)c(Br)c1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.54
TSHR P16473 1/20 0.48
BCL3 P20749 5/20 0.48
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
MAPK11 Q15759 1/20 0.41

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
SCHEMBL29593837 0.87 MAPK14 (0.72) MAPK14MAPK11
SCHEMBL4380074 0.87 MAPK14 (0.72) MAPK14MAPK11
SCHEMBL3526613 0.79 MAPK14 (0.58) MAPK14MAPK11
SCHEMBL3527648 0.79 MAPK14 (0.52) MAPK14MAPK11
SCHEMBL3523509 0.78 MAPK14 (0.50) MAPK14
SCHEMBL3522660 0.77 MAPK14 (0.52) MAPK14
SCHEMBL6471292 0.76 BCL3 (0.49) MAPK14BCL3KMT2ASMN1; SMN2JAK1
SCHEMBL3523043 0.76 MAPK14 (0.64) MAPK14MAPK11
SCHEMBL3522325 0.75 MAPK14 (0.56) MAPK14
SCHEMBL3526045 0.75 MAPK14 (0.53) MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (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-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885TSHR 2512/4885BCL3 2661/4885

“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.