SCHEMBL30241908

SCHEMBL30241908

O=c1ccn(-c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.58
CYP3A4 P08684 2/20 0.58
HTT P42858 2/20 0.50
CYP2E1 P05181 2/20 0.47
EP300 Q09472 1/20 0.47
KAT2B Q92831 1/20 0.47
ELANE P08246 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AR P10275 1/20 0.44
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5832873 0.83 CYP2A6 (0.67) CYP2A6CYP3A4HTTCYP2E1EP300
SCHEMBL3507948 0.76 CYP2A6 (0.51) CYP2A6CYP3A4HTTCYP2E1EP300
SCHEMBL10472772 0.74 BCHE (0.52) CYP3A4EP300KAT2BMAPTCA12
SCHEMBL29414663 0.73 HTT (0.61) CYP2A6CYP3A4HTTEP300KAT2B
SCHEMBL403413 0.73 CYP3A4 (1.00) CYP2A6CYP3A4CYP2E1MAPTHSD17B10
SCHEMBL21753805 0.73 HTT (0.61) CYP2A6CYP3A4HTTEP300KAT2B
SCHEMBL7319404 0.73 KMT2A (0.52) CYP3A4HTTGAAMAPK1ALDH1A1
SCHEMBL27559785 0.73 CYP2A6 (0.55) CYP2A6CYP3A4HTTCYP2E1EP300
SCHEMBL28165620 0.73 CYP2A6 (0.55) CYP2A6CYP3A4HTTCYP2E1EP300
SCHEMBL14395527 0.73 CYP2A6 (0.50) CYP2A6CYP3A4HTTCYP2E1EP300

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 2 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

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-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 CYP2A6 998/4885CYP3A4 513/4885HTT 4164/4885
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators C5AR1, C3AR1, C5AR2 CYP2A6 1292/4885CYP3A4 418/4885HTT 4152/4885

“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.