SCHEMBL6314346

SCHEMBL6314346

O=Nc1ccc2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
KDM4E B2RXH2 6/20 0.53
NOS1 P29475 4/20 0.53
ALDH1A1 P00352 4/20 0.53
ROCK2 O75116 3/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
ROCK1 Q13464 2/20 0.53
METAP2 P50579 1/20 0.53
CSNK2A1 P68400 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CLK1 P49759 2/20 0.51
MAOB P27338 5/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
GSK3B P49841 2/20 0.49

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
SCHEMBL4171090 0.80 MAPT (0.49) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL13608852 0.77 MAPT (0.49) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL3514335 0.77 MAPT (0.49) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL277776 0.74 ROCK2 (0.59) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL8022440 0.74 NOS1 (0.59) MAPTKDM4ENOS1ALDH1A1ROCK2
Nitric Acid SCHEMBL6033263 0.72 MAPT (0.52) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL28548770 0.72 ROCK2 (0.49) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL9973869 0.71 PIK3C3 (0.37) MAPTKDM4EROCK2MEN1KMT2A
SCHEMBL3997427 0.71 NOS1 (0.55) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL3995547 0.69 NOS1 (0.59) MAPTKDM4ENOS1ALDH1A1ROCK2

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034673-B2 (S)-N-(3-(6-isopropoxypyridin-3-yl)-1H-indazol-5-yl)-1-(2-(4-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)-3,6-dihydropyridin-1(2H)-yl)-2-oxoethyl)-3-(methylthio)pyrrolidine-3-carboxamide compositions for pharmaceutical preparations MERCK SHARP & DOHME CORP. (US) 2021-06-15 US disclosed
US-20200299266-A1 (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3-(METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS MERCK SHARP & DOHME CORP. (US) 2020-09-24 US disclosed
EP-2573853-B1 Electrolyte for lithium secondary battery and lithium secondary battery including the same SAMSUNG ELECTRONICS CO LTD (KR) 2020-09-09 EP disclosed
WO-2019144132-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS RADIUS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
WO-2017121444-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-07-20 WO disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 US disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
CN-1262882-C Anti-foaming agent compsotion for preparing silver halide photosensitive solution and method for making silver halide photographic material by using it FUJI PHOTO FILM CO LTD (JP) 2006-07-05 CN disclosed
US-6952294-B2 Method of reading an image, method of forming a color image, device for forming a color image, silver halide color photosensitive material, and a device for processing a photosensitive material FUJI PHOTO FILM CO., LTD. (JP) 2005-10-04 US disclosed
US-4797349-A USING A DEVELOPER CONTAINING A COLORLESS ANIONIC SURFACTANT HAVING SULFO, SULFATE, SULFONE OR SULFITE GROUPS; COLOR DENSITY FUJI PHOTO FILM CO., LTD. (JP) 1989-01-10 US disclosed
EP-0294769-A2 Method for processing silver halide color photographic light-sensitive materials FUJI PHOTO FILM CO., LTD. (JP) 1988-12-14 EP disclosed
US-4783394-A Color image forming process FUJI PHOTO FILM CO., LTD. (JP) 1988-11-08 US disclosed
EP-0289008-A2 Method for processing silver halide color photographic light-sensitive materials FUJI PHOTO FILM CO., LTD. (JP) 1988-11-02 EP disclosed
EP-0289007-A2 Method for processing silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1988-11-02 EP disclosed
US-4774166-A CONTAINING A NONCOLORING COMPOUND-AROMATIC ALCOHOL, ETHER, OR SULFONAMIDE FUJI PHOTO FILM CO., LTD. (JP) 1988-09-27 US disclosed
EP-0234428-A2 Color image-forming process FUJI PHOTO FILM CO., LTD. (JP) 1987-09-02 EP disclosed
EP-0232770-A2 Method of the formation of color images FUJI PHOTO FILM CO., LTD. (JP) 1987-08-19 EP disclosed
EP-0231870-A2 Method for color image formation FUJI PHOTO FILM CO., LTD. (JP) 1987-08-12 EP disclosed
EP-0231832-A2 Method of color image formation FUJI PHOTO FILM CO., LTD. (JP) 1987-08-12 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 (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-20200299266-A1 (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3-(METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HK1, HINT1 MAPT 123/4885KDM4E 487/4885NOS1 3317/4885
US-11034673-B2 (S)-N-(3-(6-isopropoxypyridin-3-yl)-1H-indazol-5-yl)-1-(2-(4-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)-3,6-dihydropyridin-1(2H)-yl)-2-oxoethyl)-3-(methylthio)pyrrolidine-3-carboxamide compositions for pharmaceutical preparations H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HK1, HINT1 MAPT 118/4885KDM4E 484/4885NOS1 3207/4885

“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.