SCHEMBL4525326

SCHEMBL4525326

CC(C)(N)C1CCN(c2nc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
EEF2K O00418 2/20 0.34
EEF2 P13639 1/20 0.34
KCNH2 Q12809 3/20 0.34
SCN5A Q14524 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CACNA1C Q13936 1/20 0.34
DPP4 P27487 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
SCHEMBL4525317 1.00 KMT2A (0.36) KMT2AEEF2KEEF2KCNH2SCN5A
Hydrochloric Acid SCHEMBL4518859 0.99 KMT2A (0.35) KMT2AEEF2KEEF2KCNH2SCN5A
Hydrochloric Acid SCHEMBL4518853 0.99 KMT2A (0.35) KMT2AEEF2KEEF2KCNH2SCN5A
SCHEMBL4515894 0.85 KMT2A (0.48) KMT2ADPP4
SCHEMBL4515898 0.85 KMT2A (0.48) KMT2ADPP4
Hydrochloric Acid SCHEMBL4523586 0.84 KMT2A (0.48) KMT2ADPP4
Hydrochloric Acid SCHEMBL4523576 0.84 KMT2A (0.48) KMT2ADPP4
SCHEMBL4524732 0.82 KCNH2 (0.48) KMT2AEEF2KEEF2KCNH2SCN5A
SCHEMBL4524736 0.82 KCNH2 (0.48) KMT2AEEF2KEEF2KCNH2SCN5A
Hydrochloric Acid SCHEMBL4511574 0.82 KCNH2 (0.47) KMT2AEEF2KEEF2KCNH2SCN5A

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-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US claimed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US claimed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US claimed
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
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 KMT2A 1288/4885EEF2K 375/4885EEF2 1172/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KMT2A 1212/4885EEF2K 365/4885EEF2 1130/4885

“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.