SCHEMBL7058474

SCHEMBL7058474

Cc1[nH]c2ncccc2c1C(=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
PARP1 P09874 1/20 0.42
FEN1 P39748 1/20 0.42
MAP2K1 Q02750 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 2/20 0.40
BRD4 O60885 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NR4A2 P43354 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.38
HSD11B1 P28845 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
KLK6 Q92876 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
SCHEMBL21819026 0.87 AURKA (0.45) AURKAPARP1FEN1MAP2K1ADORA2A
SCHEMBL15175716 0.81 NR4A2 (0.60) AURKAPARP1FEN1MAP2K1ALDH1A1
SCHEMBL27690047 0.81 AURKA (0.40) AURKAPARP1FEN1MAP2K1ADORA2A
SCHEMBL9696279 0.80 AURKA (0.45) AURKAPARP1FEN1MAP2K1ADORA2A
SCHEMBL2978600 0.79 COMT (0.50) AURKAPARP1FEN1ALDH1A1BRD4
SCHEMBL15173373 0.77 NR4A2 (0.44) AURKAPARP1FEN1MAP2K1ALDH1A1
SCHEMBL7064351 0.75 ADORA3 (0.41) PARP1ADORA2AADORA1ALDH1A1NPC1
SCHEMBL1559343 0.73 NR4A2 (0.63) ALDH1A1NPC1RAB9ANR4A2PKM
SCHEMBL1714222 0.72 KMT2A (0.47) AURKAPARP1FEN1MAP2K1ADORA2A
SCHEMBL7976276 0.72 KDM4E (0.46) AURKAPARP1FEN1MAP2K1ADORA2A

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-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 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-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 AURKA 1380/4885PARP1 278/4885FEN1 485/4885

“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.