SCHEMBL22686267

SCHEMBL22686267

c1csc(Cc2cscn2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
LTA4H P09960 2/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A3 Q01959 7/20 0.32
KDM4C Q9H3R0 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3787961 0.76 FDPS (0.47) FDPSLTA4HALDH1A1TSHRNOS1
SCHEMBL2749419 0.69 L3MBTL1 (0.44) ALDH1A1SLC6A3ALOX15
SCHEMBL8447530 0.68 CYP2C9 (0.45) LTA4HALDH1A1TSHRSLC6A3CYP2C19
SCHEMBL243565 0.68
SCHEMBL28864121 0.67 KDM4C (0.36) FDPSALDH1A1KDM4CPKM
SCHEMBL5785411 0.67 LTA4H (0.38) FDPSLTA4HALDH1A1TSHRNOS1
SCHEMBL8671012 0.67 FDPS (0.47) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL243566 0.65
SCHEMBL378027 0.64 PDPK1 (0.50) LTA4HALDH1A1SLC6A3
SCHEMBL6163997 0.64 CYP17A1 (0.50) FDPSLTA4HALDH1A1HSD17B10SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-22 US disclosed
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-03-21 US disclosed
US-20200369672-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD. (CH) 2020-11-26 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 (3 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-20200369672-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 FDPS 1189/4885LTA4H 287/4885ALDH1A1 2010/4885
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 FDPS 1189/4885LTA4H 287/4885ALDH1A1 2010/4885
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators C5AR1, C3AR1, C5AR2 FDPS 581/4885LTA4H 393/4885ALDH1A1 3015/4885

“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.