SCHEMBL4470993

SCHEMBL4470993

Nc1cnc(N)c(-c2cccc(F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.56
FYN P06241 6/20 0.55
TAAR1 Q96RJ0 1/20 0.50
MAP4K4 O95819 8/20 0.46
USP7 Q93009 1/20 0.44
KDM4E B2RXH2 2/20 0.42
VRK1 Q99986 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL29857829 0.83 CHEK2 (0.53) CHEK2FYNTAAR1MAP4K4USP7
SCHEMBL26917180 0.83 CHEK2 (0.53) CHEK2FYNTAAR1MAP4K4USP7
SCHEMBL12489152 0.82 CHEK2 (0.71) CHEK2FYNTAAR1MAP4K4USP7
SCHEMBL26917158 0.81 CHEK2 (0.54) CHEK2FYNTAAR1MAP4K4USP7
SCHEMBL29973001 0.80 MAP4K4 (0.56) CHEK2FYNMAP4K4USP7KDM4E
SCHEMBL2558901 0.80 CHEK2 (0.53) CHEK2FYNTAAR1MAP4K4USP7
SCHEMBL3543470 0.80 MAP4K4 (0.59) CHEK2FYNMAP4K4USP7
SCHEMBL1869408 0.78 FEN1 (0.55) CHEK2MAP4K4USP7
SCHEMBL16973171 0.77 USP7 (0.48) FYNMAP4K4USP7VRK1
SCHEMBL31722154 0.77 TAAR1 (0.55) CHEK2TAAR1MAP4K4KDM4EMEN1

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
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
EP-1534276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2008-11-05 EP disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 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-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E CHEK2 3885/4885FYN 4684/4885TAAR1 1702/4885

“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.