Sugi Predict

Sugi Predict / Compounds / SCHEMBL13987307

SCHEMBL13987307

SCHEMBL13987307

N[C@H](COCc1ccccc1)C(=O)Nc1cc2c3c(c[nH]c3c1)C=NNC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 5/20 0.54
▸ ROCK2 O75116 4/20 0.54
▸ AURKA O14965 3/20 0.54
▸ PLK4 O00444 2/20 0.54
▸ CHEK2 O96017 2/20 0.54
▸ ABL1 P00519 2/20 0.54
▸ EGFR P00533 2/20 0.54
▸ LCK P06239 2/20 0.54
▸ FYN P06241 2/20 0.54
▸ CDK1 P06493 2/20 0.54
▸ RET P07949 2/20 0.54
▸ FGFR1 P11362 2/20 0.54
▸ SRC P12931 2/20 0.54
▸ FGFR3 P22607 2/20 0.54
▸ RPS6KB1 P23443 2/20 0.54
▸ MARK3 P27448 2/20 0.54
▸ KDR P35968 2/20 0.54
▸ FLT3 P36888 2/20 0.54
▸ LIMK1 P53667 2/20 0.54
▸ BTK Q06187 2/20 0.54

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
Hydrochloric Acid SCHEMBL4780398 0.99 ROCK2 (0.53) ROCK1ROCK2AURKAPLK4CHEK2
SCHEMBL4775414 0.88 PLK4 (0.53) ROCK1ROCK2AURKAPLK4CHEK2
SCHEMBL13987490 0.87 ROCK2 (0.56) ROCK1ROCK2AURKAPLK4CHEK2
SCHEMBL4778277 0.87 ROCK2 (0.56) ROCK1ROCK2AURKAPLK4CHEK2
SCHEMBL5447724 0.84 AURKA (0.49) ROCK1ROCK2AURKAPLK4CHEK2
SCHEMBL13987258 0.83 PLK4 (0.48) ROCK1ROCK2AURKAPLK4CHEK2
SCHEMBL13987310 0.82 AURKA (0.51) ROCK1ROCK2AURKAPLK4CHEK2
Hydrochloric Acid SCHEMBL4779823 0.81 AURKA (0.50) ROCK1ROCK2AURKAPLK4CHEK2
SCHEMBL13987308 0.81 AURKA (0.52) ROCK1ROCK2AURKAPLK4CHEK2
Hydrochloric Acid SCHEMBL4775517 0.80 AURKA (0.51) ROCK1ROCK2AURKAPLK4CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 — — US disclosed
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 — — US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 — — US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 — — 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-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA ROCK1 455/4885ROCK2 566/4885AURKA 122/4885

“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.