SCHEMBL1869408

SCHEMBL1869408

Nc1cnc(N)c(-c2ccc(-c3ccccc3)c(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 16/20 0.55
ALOX5AP P20292 12/20 0.55
MAP4K4 O95819 2/20 0.50
USP7 Q93009 1/20 0.50
CHEK2 O96017 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46

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
SCHEMBL3543470 0.85 MAP4K4 (0.59) MAP4K4USP7CHEK2MKNK1
SCHEMBL16973171 0.82 USP7 (0.48) FEN1ALOX5APMAP4K4USP7
SCHEMBL625444 0.80 MAP4K4 (0.57) FEN1ALOX5APMAP4K4MKNK1
SCHEMBL29973001 0.79 MAP4K4 (0.56) MAP4K4USP7CHEK2MKNK1
SCHEMBL4470993 0.78 CHEK2 (0.56) MAP4K4USP7CHEK2
SCHEMBL1665775 0.76 USP7 (0.53) MAP4K4USP7CHEK2MKNK1
SCHEMBL19393955 0.75 TAAR1 (0.58) FEN1ALOX5AP
SCHEMBL19824470 0.75 TAAR1 (0.58) FEN1ALOX5AP
SCHEMBL19308531 0.74 FEN1 (0.50) FEN1ALOX5AP
SCHEMBL19400433 0.74 MEN1 (0.50) FEN1ALOX5AP

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-7939661-B2 Antidiabetic agents; somatostatin receptor subtype 5 modulators; noninsulin dependent diabetes mellitus; side effect reduction; synthesis HOFFMAN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-03-13 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-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES SSTR5, SSTR3, NPY5R FEN1 4700/4885ALOX5AP 1536/4885MAP4K4 1824/4885

“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.