SCHEMBL3115491

SCHEMBL3115491

CS(=O)(=O)O.Cn1cc(-c2cnc(N)nc2-c2ccco2)ccc1=O

nearest known ligand 0.88

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.88
ADORA1 P30542 13/20 0.88
ADORA2B P29275 6/20 0.88
ADORA3 P0DMS8 3/20 0.56
BRD4 O60885 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
Sulfuric Acid SCHEMBL3118523 0.97 ADORA2A (0.90) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3118879 0.94 ADORA2A (0.84) ADORA2AADORA1ADORA2BADORA3BRD4
SCHEMBL1553927 0.94 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
Hydrochloric Acid SCHEMBL3111468 0.93 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3
Water SCHEMBL2958593 0.93 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3114718 0.91 ADORA2A (0.80) ADORA2AADORA1ADORA2BADORA3
Phosphoric Acid SCHEMBL3111633 0.91 ADORA2A (0.90) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3111625 0.90 ADORA2A (0.77) ADORA2AADORA1ADORA2BADORA3
SCHEMBL21176829 0.81 ADORA2A (0.76) ADORA2AADORA1ADORA2BADORA3
SCHEMBL1553621 0.80 ADORA2A (0.75) ADORA2AADORA1ADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179321-A1 SALT OF 5-[2-AMINO-4-(2-FURYL)PYRIMIDIN-5-YL]-1-METHYLPYRIDIN-2(1H)-ONE AND CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-15 US 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-20100179321-A1 SALT OF 5-[2-AMINO-4-(2-FURYL)PYRIMIDIN-5-YL]-1-METHYLPYRIDIN-2(1H)-ONE AND CRYSTAL THEREOF SLC28A1, SLC28A2, SLC20A1 ADORA2A 2391/4885ADORA1 1669/4885ADORA2B 3904/4885

“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.