SCHEMBL13624013

SCHEMBL13624013

CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(N)=O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CSNK1D P48730 2/20 0.33
TLR2 O60603 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
FYN P06241 1/20 0.33
GRK5 P34947 1/20 0.33
NUAK1 O60285 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
LCK P06239 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1E P49674 1/20 0.32
GSK3B P49841 1/20 0.32
MAP2K1 Q02750 1/20 0.32

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
SCHEMBL12378352 0.91 CSNK1D (0.33) GRM2KCNH2CSNK1DTLR2LIPG
SCHEMBL13623964 0.90 CSNK1D (0.32) GRM2KCNH2CSNK1DTLR2LIPG
SCHEMBL12378399 0.90 LIPG (0.36) CSNK1DTLR2LIPGNUAK1ROCK2
SCHEMBL13623961 0.89 PLA2G2A (0.36) GRM2TLR2LIPG
SCHEMBL12378380 0.89 TACR1 (0.33) GRM2KCNH2CSNK1DTLR2LIPG
SCHEMBL12378358 0.89 CSNK1D (0.33) GRM2KCNH2CSNK1DLIPGNUAK1
SCHEMBL13592646 0.87 TLR2 (0.33) CSNK1DTLR2LIPGNUAK1ROCK2
SCHEMBL12378416 0.87 NTRK1 (0.36) LIPG
SCHEMBL12378412 0.87 NTRK1 (0.36) LIPG
SCHEMBL12378448 0.87 GRM2 (0.34) GRM2KCNH2CSNK1DTLR2LIPG

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-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

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 GRM2 4726/4885KCNH2 4477/4885CYP1A2 1583/4885

“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.