SCHEMBL6918481

SCHEMBL6918481

CCCCOc1c(Nc2ccc3c(c2)CCC3=O)ncnc1-c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.49
F11 P03951 3/20 0.46
F7 P08709 3/20 0.46
F10 P00742 2/20 0.46
MKNK1 Q9BUB5 1/20 0.42
CYP2C9 P11712 1/20 0.38
BRAF P15056 2/20 0.37
EIF2AK3 Q9NZJ5 2/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
CHEK1 O14757 1/20 0.36
FLT3 P36888 1/20 0.36
SRC P12931 1/20 0.35
HSD17B1 P14061 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL9607605 0.85 F9 (0.48) F9F11F7F10MKNK1
SCHEMBL1231101 0.82 F9 (0.71) F9F11F7F10MKNK1
SCHEMBL6919151 0.80 F9 (0.42) F9F11F7F10CYP2C9
SCHEMBL6918532 0.76 F9 (0.42) F9F11F7F10CYP2C9
SCHEMBL6918447 0.75 F9 (0.44) F9F11F7F10CYP2C9
SCHEMBL6918519 0.74 F9 (0.47) F9F11F7F10CYP2C9
SCHEMBL6919788 0.74 F9 (0.42) F9F11F7F10CYP2C9
SCHEMBL6919671 0.73 F9 (0.75) F9F11F7F10MKNK1
SCHEMBL9607703 0.72 F9 (0.66) F9F11F7F10CYP2C9
SCHEMBL6918819 0.69 F9 (0.40) F9F11F7F10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462123-B1 4,5,6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2013-10-02 EP disclosed
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
WO-2011017296-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2011-02-10 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 (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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 F9 1/4885F11 5/4885F7 7/4885

“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.