SCHEMBL6769737

SCHEMBL6769737

Nc1ccc2cc(C=O)cnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
F2 P00734 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
MAOA P21397 1/20 0.48
DRD1 P21728 1/20 0.48
ACHE P22303 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
KDR P35968 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL9797715 0.83 PDGFRB (0.42) EGFRKMT2APDGFRBPDGFRARAB9A
SCHEMBL3367827 0.82 EGFR (0.49) EGFRKMT2AMEN1HTTLMNA
SCHEMBL554880 0.79 ALDH1A1 (0.50) KMT2APDGFRBPDGFRARAB9AKDM4E
SCHEMBL15941521 0.79 PDGFRB (0.47) KMT2AMEN1LMNAMAOAPDGFRB
SCHEMBL13510928 0.79 PDGFRB (0.50) PDGFRBPDGFRAMAPTRAB9AKDM4E
SCHEMBL29953405 0.79 ESR2 (0.54) KMT2AMEN1LMNAPDGFRBPDGFRA
SCHEMBL1002550 0.79 HTT (0.46) KMT2AHTTLMNAMAOAPDGFRB
SCHEMBL2446728 0.79 ESR2 (0.54) KMT2AMEN1LMNAPDGFRBPDGFRA
SCHEMBL30668491 0.77 MEN1 (0.60) EGFRKMT2AMEN1HTTLMNA
SCHEMBL10979440 0.77 MEN1 (0.60) EGFRKMT2AMEN1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713489-B2 TREATMENT OF ATHEROSCLEROSIS, OBESITY, DIABETES, HYPERLIPIDEMIA, HYPERLIPOPROTEINEMIA, HYPERCHOLESTEROLEMIA, HYPERTRIGLYCERIDEMIA, HYPOALPHALIPOPROTEINEMIA, PANCREATITIS, MYOCARDIAL INFARCTION, STROKE, RESTENOSIS, OR SYNDROME X PFIZER INC 2004-03-30 US disclosed
US-6657065-B2 Which are useful as microsomal triglyceride transfer protein (MTP) inhibitors PFIZER INC 2003-12-02 US disclosed
US-20020161233-A1 Methods of making quinoline amides TOM NORMA J (US) 2002-10-31 US disclosed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 US disclosed
US-6417367-B1 THAT ARE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) INHIBITORS USEFUL FOR TREATING HYPERCHOLESTEROLEMIA FOR EXAMPLE; FEWER SYNTHESIS STEPS, STARTING MATERIALS ARE AN ACYL HALIDE AND M-NITROANILINE PFIZER INC. 2002-07-09 US disclosed
US-20020042516-A1 Methods of making quinoline amides TOM NORMA J (US) 2002-04-11 US disclosed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 US disclosed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 EP 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 (3 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-20020161233-A1 Methods of making quinoline amides CETP, MTTP, LCAT EGFR 4755/4885KMT2A 1557/4885MEN1 2262/4885
US-20020042516-A1 Methods of making quinoline amides CETP, MTTP, LCAT EGFR 4755/4885KMT2A 1557/4885MEN1 2262/4885
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B APOB, CETP, PNLIP EGFR 3005/4885KMT2A 3250/4885MEN1 4036/4885

“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.