SCHEMBL31129249

SCHEMBL31129249

COC(=O)Nc1ccc(OC)nc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.67
MEN1 O00255 8/20 0.67
MAPT P10636 3/20 0.67
KDM4E B2RXH2 2/20 0.67
RAB9A P51151 6/20 0.65
NPC1 O15118 4/20 0.65
LMNA P02545 4/20 0.65
ALDH1A1 P00352 2/20 0.65
HTT P42858 1/20 0.65
PABPC1 P11940 5/20 0.63
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
NPSR1 Q6W5P4 1/20 0.56
USP2 O75604 1/20 0.55

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
SCHEMBL10404298 1.00 KMT2A (0.67) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL3761569 0.86 KMT2A (0.68) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL50309 0.86 KMT2A (0.67) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL2748441 0.85 KMT2A (0.58) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL29764668 0.85 KMT2A (0.58) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL7886661 0.85 KMT2A (0.62) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL22773569 0.84 KMT2A (0.65) KMT2AMEN1MAPTKDM4ERAB9A
Hydrochloric Acid SCHEMBL38658753 0.84 KMT2A (0.66) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL590618 0.83 KMT2A (0.61) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL12049704 0.83 KMT2A (0.68) KMT2AMEN1MAPTKDM4ERAB9A

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-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-09-19 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-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R KMT2A 897/4885MEN1 871/4885MAPT 1726/4885

“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.