SCHEMBL6170504

SCHEMBL6170504

CC1=COc2ccccc2C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
GSK3B P49841 1/20 0.45
CASP3 P42574 2/20 0.39
CASP7 P55210 2/20 0.39
CASP6 P55212 2/20 0.39
CASP8 Q14790 2/20 0.39
CASP2 P42575 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP2 O95551 1/20 0.39
CASP9 P55211 1/20 0.39
MAP3K14 Q99558 1/20 0.39
PDGFRA P16234 1/20 0.38
FER P16591 1/20 0.38
LTK P29376 1/20 0.38
CDK8 P49336 1/20 0.38
ACVR1 Q04771 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL7476200 0.79 ROS1 (0.44) MAPTKDM4ELMNAALDH1A1ACVR1
SCHEMBL7469213 0.79 ROS1 (0.40) MAPTTDP1ACVR1LRRK2POLB
SCHEMBL7468086 0.77 MAPT (0.51) MAPTKDM4ETDP1LMNAGSK3B
SCHEMBL853543 0.76 MAPT (0.70) MAPTKDM4ETDP1LMNAGSK3B
SCHEMBL7467619 0.76 FABP6 (0.45) MAPTTDP1CASP3TDP2MEN1
SCHEMBL7464237 0.74 MAPT (0.51) MAPTKDM4ETDP1GSK3BALDH1A1
SCHEMBL18666567 0.72 ALOX5 (0.48) MAPTKDM4ETDP1ALDH1A1POLB
SCHEMBL854614 0.72 MAPT (1.00) MAPTTDP1GSK3BALDH1A1LRRK2
SCHEMBL10374970 0.72 MAPT (0.46) MAPTKDM4ETDP1LMNAGSK3B
SCHEMBL16306320 0.70 KDM4E (0.53) MAPTKDM4ETDP1LMNAGSK3B

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
EP-0966440-B1 METHOD OF PRODUCTION AND METHOD OF SEPARATION OF 2,4'-DIPYRIDYL DERIVATIVES AND METHODS OF PRODUCTION OF BENZOXAZEPINE DERIVATIVES AND SALTS THEREOF DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-11-09 EP disclosed
US-6624308-B2 Cross coupling of 2-halopyridine and 4-halopyridine using nickel complex catalyst DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-09-23 US disclosed
US-20030125547-A1 Method of production and method of separation of 2,4'-dipyridyl derivatives and methods of production of benzoxazepine derivatives and salts thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2003-07-03 US disclosed
EP-0755930-B1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LTD (JP) 2002-07-31 EP disclosed
US-6337397-B1 A BENZOXAZEPINE DERIVATIVE FOR TREATMENT OF ANXIETY NEUROSIS, PHOBIAS, OBSESSIVE-COMPULSIVE DISORDERS, SCHIZOPHRENIA, POST-CARDIAC TRAUMA STRESS DISORDERS, DEPRESSION DISORDERS, PSYCHOSOMATIC DISORDERS AND OTHER PSYCHONEUROTIC DISORDERS, SUNTORY LIMITED (JP) 2002-01-08 US disclosed
US-6187769-B1 Benzoxazepine derivatives and their salts and medicaments containing the same SUNTORY LIMITED (JP) 2001-02-13 US disclosed
US-6096884-A CROSS COUPLING REACTION OF A 2-HALOPYRIDINE DERIVATIVE AND A 4-HALOPYRIDINE USING A NICKEL COMPLEX CATALYST SUNTORY LIMITED (JP) 2000-08-01 US disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 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-20030125547-A1 Method of production and method of separation of 2,4'-dipyridyl derivatives and methods of production of benzoxazepine derivatives and salts thereof WIZ, HELZ, HPD MAPT 1836/4885KDM4E 1050/4885TDP1 2925/4885

“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.