SCHEMBL4503787

SCHEMBL4503787

N[C@H]1CN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2Cl)C[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.43
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
TOP1 P11387 1/20 0.34

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
SCHEMBL1381056 1.00 DPP4 (0.43) DPP4CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1381058 1.00 DPP4 (0.43) DPP4CYP3A4CYP2C9CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4505820 0.99 DPP4 (0.42) DPP4CYP3A4CYP2C9CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4505816 0.99 DPP4 (0.42) DPP4CYP3A4CYP2C9CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4505810 0.99 DPP4 (0.42) DPP4CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1381746 0.91 CYP3A4 (0.38) DPP4CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL4518433 0.91 CYP3A4 (0.38) DPP4CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1381742 0.91 CYP3A4 (0.38) DPP4CYP3A4CYP2C9CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4514294 0.90 CYP3A4 (0.38) DPP4CYP3A4CYP2C9CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4514292 0.90 CYP3A4 (0.38) DPP4CYP3A4CYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP 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
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
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO 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 DPP4 400/4885CYP3A4 1188/4885CYP2C9 1392/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS DPP4 398/4885CYP3A4 1134/4885CYP2C9 1351/4885

“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.