SCHEMBL4515898

SCHEMBL4515898

NC1CCN(c2nc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
OPRM1 P35372 4/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 3/20 0.39
OGFRL1 Q5TC84 3/20 0.39
MAT2A P31153 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
DPP4 P27487 2/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
PRKD3 O94806 1/20 0.35
PIM1 P11309 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 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
SCHEMBL4515894 1.00 KMT2A (0.48) KMT2AOPRM1OPRD1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL4523576 0.99 KMT2A (0.48) KMT2AOPRM1OPRD1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL4523586 0.99 KMT2A (0.48) KMT2AOPRM1OPRD1OPRK1OGFRL1
SCHEMBL1385881 0.86 EPHA2 (0.46) KMT2AALDH1A1POLBCHRM2DPP4
SCHEMBL6504139 0.85 KCNH2 (0.38) KMT2ADPP4
SCHEMBL4524736 0.85 KCNH2 (0.48) KMT2A
SCHEMBL4525326 0.85 KMT2A (0.36) KMT2ADPP4
SCHEMBL4524732 0.85 KCNH2 (0.48) KMT2A
SCHEMBL4525317 0.85 KMT2A (0.36) KMT2ADPP4
SCHEMBL6495387 0.84 DPP4 (0.39) KMT2AALDH1A1POLBCHRM2DPP4

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 1288/4885OPRM1 1123/4885OPRD1 246/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KMT2A 1212/4885OPRM1 1140/4885OPRD1 221/4885

“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.