SCHEMBL5021664

SCHEMBL5021664

NCc1cncc(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.57
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
CYP2A6 P11509 1/20 0.52
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
ATM Q13315 1/20 0.45
LOXL2 Q9Y4K0 3/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
SGK1 O00141 1/20 0.43
CSNK2A1 P68400 2/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CHRNA7 P36544 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41

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
SCHEMBL1690457 0.85 CYP2A6 (0.68) CYP11B1CYP11B2CYP2A6MKNK1MKNK2
SCHEMBL9413197 0.81 MAP4K4 (0.51) FDPSTAAR1CYP2A6MKNK1MKNK2
SCHEMBL9413172 0.81 CYP2A6 (0.44) FDPSCYP11B1CYP11B2CYP2A6PRMT5
SCHEMBL9413189 0.81 CYP2A6 (0.44) FDPSCYP11B1CYP11B2TAAR1CYP2A6
SCHEMBL7393289 0.81 DRD2 (0.52) FDPSCYP11B1CYP11B2TAAR1CYP2A6
SCHEMBL9413179 0.80 CYP2A6 (0.45) FDPSTAAR1CYP2A6PRMT5WDR77
SCHEMBL2646363 0.80 CYP11B1 (0.54) FDPSCYP11B1CYP11B2MKNK1MKNK2
SCHEMBL10271979 0.80 CYP11B1 (0.54) FDPSCYP11B1CYP11B2MKNK1MKNK2
SCHEMBL5456894 0.80 CYP11B1 (0.54) FDPSCYP11B1CYP11B2MKNK1MKNK2
SCHEMBL5021553 0.80 FDPS (0.57) FDPSCYP11B1CYP11B2CYP2A6MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US disclosed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 WO disclosed
US-7618988-B2 (2R,4R)-2-({[5-(4-fluorophenyl)-pyridin 3ylmethyl]-amino}-methyl)-chroman-4-ol; extrapyramidal symptoms (EPS) induced by neuroleptics; Parkinson's disease MERCK PATENTGESELLSCHAFT (DE) 2009-11-17 US disclosed
US-7618988-B2 (2R,4R)-2-({[5-(4-fluorophenyl)-pyridin 3ylmethyl]-amino}-methyl)-chroman-4-ol; extrapyramidal symptoms (EPS) induced by neuroleptics; Parkinson's disease MERCK PATENTGESELLSCHAFT (DE) 2009-11-17 US disclosed
EP-1587473-A4 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-08-13 EP disclosed
CN-1246319-C Amino (thio) ether derivative MERCK PATENT AG (DE) 2006-03-22 CN disclosed
EP-1587473-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2005-10-26 EP disclosed
WO-2004060308-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2004-07-22 WO disclosed
EP-1123933-A1 2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent MERCK PATENT GmbH (DE) 2001-08-16 EP disclosed
US-5767132-A CENTRAL NERVOUS SYSTEM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-06-16 US disclosed
CN-1130180-A Amino (thio) ether derivative MERCK PATENT AG (DE) 1996-09-04 CN disclosed
EP-0707007-A1 Amino(thio)ether derivatives as CNS active agents MERCK PATENT GmbH (DE) 1996-04-17 EP disclosed
EP-0586866-A2 1,4,-Benzodioxane derivatives with pharmacologic properties MERCK PATENT GmbH (DE) 1994-03-16 EP disclosed
EP-0180794-B1 PYRIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1989-05-31 EP disclosed
US-4760082-A Certain di-aryl-1,2,3,6-tetrahydro-pyridyl-n-lower-alkylene-pyridines having neuroleptic properties MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-07-26 US disclosed
US-4665187-A Certain 1,2,3,6-tetrahydro-pyridyl-N-lower-alkanoyl-pyridines as intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-05-12 US disclosed
EP-0180794-A1 Pyridine derivatives MERCK PATENT GmbH (DE) 1986-05-14 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 (1 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-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 GRM5, GRIK5, GRM1 FDPS 3269/4885CYP11B1 1852/4885CYP11B2 1547/4885

“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.