SCHEMBL4880302

SCHEMBL4880302

O=C(Nc1ccccc1-n1cccn1)c1cccc2sc3c(c12)C(=O)CC=C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
GAA P10253 1/20 0.33
MALT1 Q9UDY8 3/20 0.33
ATR Q13535 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 2/20 0.31

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
SCHEMBL4593468 0.79 NPC1 (0.41) CHEK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL4586289 0.72 NPC1 (0.42) CHEK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL4592950 0.70 MAPT (0.46) ALDH1A1MAPTHTT
SCHEMBL4585382 0.67 NPC1 (0.45) CHEK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL4593578 0.66 PARP1 (0.45) CHEK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL4593742 0.66 MAPT (0.38) MAPT
SCHEMBL4593655 0.62 MAPT (0.44) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL14195927 0.61 MAPT (0.36) MAPT
SCHEMBL7427769 0.60 GPR3 (0.39) ALDH1A1MEN1MAPTKMT2ATNKS
SCHEMBL17318606 0.59 MEN1 (0.61) MEN1KMT2AHCRTR1GAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CYTOVIA INC. (CA) 2008-04-24 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-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CASP1, CASP9, CASP14 CHEK1 2192/4885ALDH1A1 1418/4885MEN1 4078/4885

“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.