Sugi Predict

Sugi Predict / Compounds / SCHEMBL12378399

SCHEMBL12378399

SCHEMBL12378399

CNC(=O)c1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CNR2 P34972 8/20 0.34
▸ TLR2 O60603 2/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ GPR52 Q9Y2T5 1/20 0.33
▸ CSNK1D P48730 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ 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

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
SCHEMBL12378712 0.92 LIPG (0.34) LIPGMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL12378352 0.91 CSNK1D (0.33) LIPGMEN1KMT2ACNR2TLR2
SCHEMBL13623962 0.90 LIPG (0.34) LIPGMEN1KMT2ACNR2TLR2
SCHEMBL12378421 0.90 GPR52 (0.39) LIPGMEN1KMT2ATLR2GPR52
SCHEMBL13623961 0.90 PLA2G2A (0.36) LIPGMEN1KMT2ACNR2TLR2
SCHEMBL13624013 0.90 GRM2 (0.37) LIPGTLR2CSNK1DNUAK1ROCK2
SCHEMBL12378401 0.90 MEN1 (0.36) LIPGMEN1KMT2ACNR2TLR2
SCHEMBL13623964 0.89 CSNK1D (0.32) LIPGMEN1KMT2ACNR2TLR2
SCHEMBL13593021 0.89 LIPG (0.33) LIPGMEN1KMT2ACNR2TLR2
SCHEMBL13623963 0.89 EGLN1 (0.37) LIPGMEN1KMT2ACNR2TLR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 — — US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 — — US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 — — US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 — — US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 — — US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 — — US disclosed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 — — 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 (2 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS LIPG 2233/4885MEN1 4674/4885KMT2A 1657/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI LIPG 2306/4885MEN1 4614/4885KMT2A 1744/4885

“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.