SCHEMBL4520433

SCHEMBL4520433

COc1c(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
HPGD P15428 4/20 0.37
KCNH2 Q12809 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
PRKD3 O94806 1/20 0.37
ALOX15 P16050 1/20 0.37
OPRM1 P35372 1/20 0.37
CLK2 P49760 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL4520442 1.00 KDM4E (0.37) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL4520436 1.00 KDM4E (0.37) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL4514173 0.93 KCNH2 (0.36) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL4513382 0.92 KCNH2 (0.36) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL5459750 0.89 KDM4E (0.37) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL4515204 0.87 KCNH2 (0.37) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL4515203 0.87 KCNH2 (0.37) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL4515211 0.87 KCNH2 (0.37) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL4513672 0.86 KDM4E (0.38) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL4511322 0.83 KCNH2 (0.34) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 KDM4E 1827/4885HPGD 3238/4885KCNH2 8/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KDM4E 1700/4885HPGD 3335/4885KCNH2 8/4885

“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.