SCHEMBL12378350

SCHEMBL12378350

CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2-c2ccccc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.35
NUAK1 O60285 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
LCK P06239 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1E P49674 1/20 0.34
GSK3B P49841 1/20 0.34
MAP2K1 Q02750 1/20 0.34
MAPK14 Q16539 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
AURKB Q96GD4 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
AR P10275 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12378674 0.92 CSNK1D (0.36) CSNK1DNUAK1ROCK2MAP4K4LCK
SCHEMBL12378685 0.88 NTRK1 (0.32) CSNK1DNUAK1ROCK2MAP4K4LCK
SCHEMBL12378442 0.85 CDK9 (0.37) CSNK1DNUAK1ROCK2MAP4K4LCK
SCHEMBL12378279 0.85 KIT (0.35) CSNK1DNUAK1ROCK2MAP4K4LCK
SCHEMBL12418485 0.85 CSNK1D (0.34) CSNK1DNUAK1ROCK2MAP4K4LCK
SCHEMBL13623964 0.84 CSNK1D (0.32) CSNK1DNUAK1ROCK2MAP4K4LCK
SCHEMBL12378352 0.84 CSNK1D (0.33) CSNK1DNUAK1ROCK2MAP4K4LCK
SCHEMBL12378679 0.84 IDH1 (0.34) CYP11B1CYP11B2
SCHEMBL12378354 0.83 CSNK1D (0.33) CSNK1DNUAK1ROCK2MAP4K4LCK
SCHEMBL12378677 0.83 CYP11B1 (0.31) MAPK14CYP11B1CYP11B2SMN1; SMN2

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-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-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 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 (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 1479/4885NUAK1 1338/4885ROCK2 3000/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI CSNK1D 388/4885NUAK1 1544/4885ROCK2 3456/4885

“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.