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Sugi Predict / Compounds / SCHEMBL12378352

SCHEMBL12378352

SCHEMBL12378352

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 2/20 0.33
▸ LIPG Q9Y5X9 2/20 0.33
▸ NUAK1 O60285 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ MINK1 Q8N4C8 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GRM2 Q14416 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TLR2 O60603 2/20 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
SCHEMBL13624013 0.91 GRM2 (0.37) CSNK1DLIPGNUAK1ROCK2MAP4K4
SCHEMBL12378358 0.91 CSNK1D (0.33) CSNK1DLIPGNUAK1ROCK2MAP4K4
SCHEMBL12378692 0.91 BCL2L1 (0.31) LIPGBCL2L1
SCHEMBL12378399 0.91 LIPG (0.36) CSNK1DLIPGNUAK1ROCK2MAP4K4
SCHEMBL13623964 0.91 CSNK1D (0.32) CSNK1DLIPGNUAK1ROCK2MAP4K4
SCHEMBL13623961 0.90 PLA2G2A (0.36) LIPGMEN1KMT2AGRM2TLR2
SCHEMBL12378357 0.90 CSNK1D (0.32) CSNK1DLIPGNUAK1ROCK2MAP4K4
SCHEMBL12378380 0.90 TACR1 (0.33) CSNK1DLIPGNUAK1ROCK2MAP4K4
SCHEMBL12378412 0.88 NTRK1 (0.36) LIPGMEN1KMT2ANTRK1XIAP
SCHEMBL12378416 0.88 NTRK1 (0.36) LIPGMEN1KMT2ACNR2NTRK1

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 CSNK1D 1479/4885LIPG 2233/4885NUAK1 1338/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI CSNK1D 388/4885LIPG 2306/4885NUAK1 1544/4885

“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.