Sugi Predict

Sugi Predict / Compounds / SCHEMBL4627720

SCHEMBL4627720

SCHEMBL4627720

C[C@@H](Nc1c(Nc2ccc3[nH][nH]c(=O)c3c2)c(=O)c1=O)c1cccc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 17/20 0.60
▸ BRAF P15056 2/20 0.43
▸ AURKB Q96GD4 4/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ PDGFRA P16234 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ CSNK1G1 Q9HCP0 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ RPS6KA1 Q15418 2/20 0.43
▸ DCLK1 O15075 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ IRAK1 P51617 1/20 0.43
▸ PRKX P51817 1/20 0.43
▸ NEK4 P51957 1/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ CSNK1G2 P78368 1/20 0.43
▸ CDC42BPA Q5VT25 1/20 0.43

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
SCHEMBL4629381 0.88 MAPKAPK2 (0.51) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL4598801 0.86 MAPKAPK2 (0.52) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL1228354 0.82 MAPKAPK2 (0.60) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL1229252 0.81 MAPKAPK2 (0.59) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL1228404 0.79 MAPKAPK2 (0.61) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL4596962 0.79 MAPKAPK2 (0.61) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL4598811 0.79 MAPKAPK2 (0.61) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL4914345 0.78 MAPKAPK2 (0.67) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL1228998 0.78 MAPKAPK2 (0.67) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL4911215 0.78 MAPKAPK2 (0.67) MAPKAPK2AURKBROCK1PDGFRAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 — — US claimed
US-20080234266-A1 Squaric Acid Derivatives II MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 — — US claimed
EP-1917249-A1 3-OXO-INDAZOLE-SQUARIC ACID DERIVATIVES Merck Patent GmbH (DE) 2008-05-07 — — EP claimed
WO-2007022858-A1 3-OXO-INDAZOLE-SQUARIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2007-03-01 — — WO claimed
US-20080234266-A1 Squaric Acid Derivatives II MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 — — US disclosed
US-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 — — 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-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives CHEK2, CHEK1, SGK2 MAPKAPK2 248/4885BRAF 917/4885AURKB 65/4885
US-20080234266-A1 Squaric Acid Derivatives II CHEK2, CHEK1, SGK3 MAPKAPK2 346/4885BRAF 758/4885AURKB 67/4885

“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.