SCHEMBL1766002

SCHEMBL1766002

Nc1nc(N)c2nc(S)[nH]c2n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
MAPT P10636 1/20 0.31
EGFR P00533 1/20 0.30
TYMS P04818 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL94362 0.79 KDM4E (0.33)
SCHEMBL94822 0.79
SCHEMBL3916442 0.79 ADORA1 (0.30) ADORA2A
SCHEMBL4002943 0.77 CSNK2A2 (0.35) ADORA2AMAPT
SCHEMBL16513155 0.74 ADORA2A (0.33) ADORA2AMAPT
SCHEMBL5133268 0.74 CSNK2A2 (0.35) ADORA2AMAPT
SCHEMBL30819131 0.74 PIK3CG (0.33) ADORA2AMAPTEGFRFLT3
SCHEMBL4907122 0.74 PIK3CG (0.33) ADORA2AMAPTEGFRFLT3
SCHEMBL2953678 0.74 ADORA3 (0.38) ADORA2A
Water SCHEMBL8757459 0.72 DHFR (0.33) ADORA2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112745670-A Glass fiber composite material and preparation method thereof 泗县绿昂新材料科技有限公司 2021-05-04 CN claimed
US-12600725-B2 Selective GRP94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2026-04-14 US disclosed
US-11673136-B2 Nanopore devices for sensing biomolecules ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-06-13 US disclosed
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-04-20 US disclosed
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-04-20 US disclosed
US-11267816-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-03-08 US disclosed
WO-2021263194-A1 INHIBITION OF N-GLYCOSYLATED GRP94 MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-12-30 WO disclosed
WO-2021263194-A1 INHIBITION OF N-GLYCOSYLATED GRP94 MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-12-30 WO disclosed
US-20210323965-A1 SMALL-MOLECULE HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2021-10-21 US disclosed
CN-112745670-A Glass fiber composite material and preparation method thereof 泗县绿昂新材料科技有限公司 2021-05-04 CN disclosed
US-20010008936-A1 Oligonucleotides having chiral phosphorus linkages ISIS PHARMACEUTICALS, INC. 2001-07-19 US disclosed
US-6239265-B1 FOR RESEARCH AND DIAGNOSIS ISIS PHARMACEUTICALS, INC. 2001-05-29 US disclosed
US-6087482-A INTER-SUGAR LINKAGES ARE FOUR ATOM LINKING GROUPS; FOR IMPROVED NUCLEASE RESISTANCE AND CELLULAR UPTAKE; FOR DIAGNOSIS AND ANTISENSE THERAPY ISIS PHARMACEUTICALS, INC. (US) 2000-07-11 US disclosed
US-5852188-A Oligonucleotides having chiral phosphorus linkages ISIS PHARMACEUTICALS, INC. (US) 1998-12-22 US disclosed
US-5677437-A MACROMOLECULES; REGULATING RNA EXPRESSION; THERAPY ISIS PHARMACEUTICALS, INC. (US) 1997-10-14 US disclosed
US-5521302-A NUCLEOPHILIC REACTION OF PHOSPHATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 1996-05-28 US disclosed
EP-0655088-A1 OLIGONUCLEOTIDES HAVING CHIRAL PHOSPHORUS LINKAGES ISIS PHARMACEUTICALS, INC. (US) 1995-05-31 EP disclosed
WO-1994022886-A1 HETEROATOMIC OLIGONUCLEOSIDE LINKAGES ISIS PHARMACEUTICALS, INC. (US) 1994-10-13 WO disclosed
US-5212295-A Monomers for preparation of oligonucleotides having chiral phosphorus linkages ISIS PHARMACEUTICALS (US) 1993-05-18 US disclosed
WO-1993008296-A1 OLIGONUCLEOTIDES HAVING CHIRAL PHOSPHORUS LINKAGES ISIS PHARMACEUTICALS, INC. (US) 1993-04-29 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 (5 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-20010008936-A1 Oligonucleotides having chiral phosphorus linkages RNGTT, PNP, PSPH ADORA2A 1036/4885MAPT 4125/4885EGFR 4255/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 ADORA2A 3584/4885MAPT 3845/4885EGFR 1901/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P ADORA2A 3509/4885MAPT 4478/4885EGFR 391/4885
US-20210323965-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P ADORA2A 1290/4885MAPT 1997/4885EGFR 2481/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 ADORA2A 3584/4885MAPT 3845/4885EGFR 1901/4885

“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.