SCHEMBL13623975

SCHEMBL13623975

CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)NN)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.33
CDK9 P50750 1/20 0.31
GRM2 Q14416 2/20 0.31
KCNH2 Q12809 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
AOC3 Q16853 3/20 0.31
TLR2 O60603 1/20 0.31
CSNK1D P48730 2/20 0.31
NTRK1 P04629 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NUAK1 O60285 1/20 0.30
ROCK2 O75116 1/20 0.30
MAP4K4 O95819 1/20 0.30
LCK P06239 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CSNK1E P49674 1/20 0.30
GSK3B P49841 1/20 0.30
MAP2K1 Q02750 1/20 0.30

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
SCHEMBL12378448 0.90 GRM2 (0.34) LIPGCDK9GRM2KCNH2TLR2
SCHEMBL12378442 0.90 CDK9 (0.37) LIPGCDK9GRM2KCNH2CSNK1D
SCHEMBL13623966 0.89 SHMT1 (0.33) LIPGCDK9ANO1CNR2
SCHEMBL4377607 0.89 CNR2 (0.38) LIPGANO1NTRK1CNR2
SCHEMBL4272664 0.89 ANO1 (0.33) LIPGANO1TP53MAPTCNR2
SCHEMBL13624116 0.89 LIPG (0.31) LIPGCDK9
SCHEMBL3992850 0.89 GPR52 (0.34) LIPGCDK9GRM2KCNH2TLR2
SCHEMBL13623970 0.89 PTGER4 (0.32) LIPGCDK9
SCHEMBL13623968 0.89 GAA (0.39) LIPGCDK9GRM2TLR2CSNK1D
SCHEMBL13623988 0.88 LIPG (0.33) LIPGCDK9TP53MAPT

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-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
WO-2009067541-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-05-28 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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS LIPG 2233/4885CDK9 27/4885GRM2 4726/4885

“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.