SCHEMBL13624006

SCHEMBL13624006

CNC(=O)C1(c2c3c(c(O)c4ncc(Cc5ccc(F)cc5)cc24)C(=O)N(C)C3)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.33
NTRK1 P04629 1/20 0.32
METAP2 P50579 1/20 0.31
CSNK1D P48730 2/20 0.31
CNR2 P34972 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
MAPK14 Q16539 1/20 0.30
MINK1 Q8N4C8 1/20 0.30
AURKB Q96GD4 1/20 0.30
XIAP P98170 2/20 0.30
BIRC2 Q13490 2/20 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
SCHEMBL13624001 0.92 LIPG (0.33) LIPGNTRK1CSNK1DNUAK1ROCK2
SCHEMBL13624000 0.92 LIPG (0.33) LIPGNTRK1METAP2CSNK1DCNR2
SCHEMBL13624002 0.91 GRM2 (0.33) LIPGNTRK1CSNK1DNUAK1ROCK2
SCHEMBL13624007 0.91 GPR52 (0.35) LIPGNTRK1METAP2CNR2
SCHEMBL13624003 0.91 PTGER4 (0.33) LIPGNTRK1
SCHEMBL13624008 0.90 CNR2 (0.38) LIPGNTRK1CNR2PTK2
SCHEMBL13846194 0.86 LIPG (0.32) LIPG
SCHEMBL13624005 0.86 GABRA5 (0.32) NTRK1
SCHEMBL13624004 0.84
SCHEMBL12378399 0.84 LIPG (0.36) LIPGNTRK1CSNK1DCNR2NUAK1

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 LIPG 2233/4885NTRK1 4015/4885METAP2 2604/4885

“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.