SCHEMBL4507664

SCHEMBL4507664

CCOC(=O)c1cc(F)c(N2CCC(NC(=O)OC(C)(C)C)C2)c(C=NOCc2ccccc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
RORC P51449 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
KMT2A Q03164 2/20 0.37
SMPD3 Q9NY59 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
BTK Q06187 2/20 0.36
KCNA3 P22001 1/20 0.36
P2RY12 Q9H244 1/20 0.35
MEN1 O00255 1/20 0.35
BRD4 O60885 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL4507661 1.00 PIM1 (0.38) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL4509895 0.92 PIM1 (0.37) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL4508206 0.85 PIM1 (0.39) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL4508203 0.85 PIM1 (0.39) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL4715483 0.84 PIM1 (0.37) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL4515045 0.84 PIM1 (0.37) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL4515039 0.84 PIM1 (0.37) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL4514090 0.83 CTSL (0.46) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL5908670 0.81 PIM1 (0.36) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL5908667 0.81 PIM1 (0.36) PIM1PIM3PIM2CKS1BSKP1

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-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 PIM1 2415/4885PIM3 1223/4885PIM2 1296/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS PIM1 2400/4885PIM3 1271/4885PIM2 1336/4885

“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.