SCHEMBL7081471

SCHEMBL7081471

CC(=O)c1cc(-n2cccn2)cc(-n2cccn2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
G6PD P11413 1/20 0.45
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
KAT6A Q92794 4/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7081879 0.88 LMNA (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7081338 0.87 MAPT (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7078820 0.82 JAK2 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7077265 0.79 KAT6A (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL18397864 0.76 TP53 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL19229935 0.76 MEN1 (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7079537 0.75 CTNNB1 (0.41) KMT2ALMNAPIK3CDPIK3CAPIK3CB
SCHEMBL7078633 0.74 KMT2A (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7077756 0.74 F2RL1 (0.38) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL17742692 0.74 NPC1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA

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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 ALDH1A1 145/4885MAPT 2302/4885MEN1 4377/4885

“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.