SCHEMBL22686202

SCHEMBL22686202

Cn1cc2c(n1)CNC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
BRAF P15056 2/20 0.31
RIPK1 Q13546 1/20 0.31
IRAK1 P51617 3/20 0.30
IRAK4 Q9NWZ3 2/20 0.30
KDR P35968 1/20 0.30
TEK Q02763 1/20 0.30
CRBN Q96SW2 1/20 0.30
MB P02144 1/20 0.30
MAPK1 P28482 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
SCHEMBL22686239 0.73 MB (0.42) PDE3BPDE3ACYP11B1CYP11B2ALDH1A1
SCHEMBL7416911 0.71 PDE3B (0.35) BIRC2PDE3BPDE3A
SCHEMBL29541233 0.69 MAT2A (0.38) HTT
SCHEMBL19228591 0.67 RIPK1 (0.42) ALDH1A1GAAMAPTHTTRIPK1
SCHEMBL18365763 0.67 RIPK1 (0.42) ALDH1A1GAAMAPTHTTRIPK1
SCHEMBL12260099 0.66 BRAF (0.33) BRAFKDRTEK
SCHEMBL21146603 0.65 PDE3B (0.38) BIRC2PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL2455557 0.64 PDE3B (0.43) BIRC2PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL673377 0.64 CYP11B1 (0.42) BIRC2PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL22482507 0.63 IRAK1 (0.33) ALDH1A1GAAMAPTHTTIRAK1

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 BIRC2 1700/4885PDE3B 308/4885PDE3A 387/4885
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 BIRC2 1700/4885PDE3B 308/4885PDE3A 387/4885
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators C5AR1, C3AR1, C5AR2 BIRC2 3070/4885PDE3B 571/4885PDE3A 633/4885

“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.