SCHEMBL6918532

SCHEMBL6918532

CCCCOc1c(Nc2ccc3ncoc3c2)ncnc1-c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.42
PIP4K2A P48426 1/20 0.42
PIP4K2C Q8TBX8 1/20 0.42
PRKD1 Q15139 1/20 0.39
F11 P03951 3/20 0.39
F7 P08709 3/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 2/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
SRC P12931 1/20 0.38
TGFBR1 P36897 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CD38 P28907 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
EGFR P00533 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1232600 0.85 PRKD1 (0.44) F9PIP4K2APIP4K2CPRKD1F11
SCHEMBL1232709 0.80 F9 (0.62) F9PIP4K2APIP4K2CPRKD1F11
SCHEMBL6918481 0.76 F9 (0.49) F9F11F7CYP2C9SRC
SCHEMBL6918447 0.76 F9 (0.44) F9F11F7CYP2C9SRC
SCHEMBL6918519 0.75 F9 (0.47) F9F11F7CYP2C9LMNA
SCHEMBL6919788 0.75 F9 (0.42) F9F11F7CYP2C9LMNA
SCHEMBL6919151 0.74 F9 (0.42) F9F11F7CYP2C9NCOA1
SCHEMBL9609072 0.69 TTBK1 (0.45) LMNANCOA1NCOA3SRCMAPT
SCHEMBL6918819 0.68 F9 (0.40) F9F11F7CYP2C9KDR
SCHEMBL6918597 0.68 F9 (0.40) F9F11F7CYP2C9KDR

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 1/4885PIP4K2A 1121/4885PIP4K2C 1319/4885

“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.