SCHEMBL6164224

SCHEMBL6164224

NC(=O)c1cccnc1[C]=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
NAPRT Q6XQN6 2/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
AHR P35869 1/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL12754874 0.83 PARP1 (0.51) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2718276 0.83 PARP1 (0.56) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9596105 0.83 PARP1 (0.56) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8833877 0.82 KDM4E (0.59) KDM4EALDH1A1NAPRTMAPTSMN1; SMN2
SCHEMBL8833113 0.81 KDM4E (0.42) PARP1KDM4EALDH1A1NAPRTMAPT
SCHEMBL833521 0.78 NPC1 (0.58) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7473485 0.77 GAA (0.44) KDM4EALDH1A1MAPTTDP1TSHR
SCHEMBL7473927 0.77 P2RX7 (0.40) KDM4EALDH1A1HPGDHSD17B10NAPRT
SCHEMBL5984230 0.77 ALDH1A1 (0.42) PARP1KDM4EALDH1A1NAPRTMAPT
SCHEMBL4078561 0.77 KMT2A (0.49) KDM4EALDH1A1NAPRTMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335917-B1 CONDENSED PYRIDOINDOLE DERIVATIVES LILLY ICOS LLC (US) 2005-08-24 EP claimed
US-6838456-B2 Condensed pyridoindole derivatives LILLY ICOS LLC (US) 2005-01-04 US claimed
US-20030207906-A1 Chemical compounds LILLY ICOS LLC 2003-11-06 US claimed
EP-1335917-A2 CONDENSED PYRIDOINDOLE DERIVATIVES Lilly Icos LLC (US) 2003-08-20 EP claimed
WO-2002028859-A2 CONDENSED PYRIDOINDOLE DERIVATIVES LILLY ICOS LLC (US) 2002-04-11 WO claimed

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-20030207906-A1 Chemical compounds ABCG2, SDHA, UGT2B7 PARP1 3402/4885KDM4E 4342/4885ALDH1A1 435/4885

“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.