SCHEMBL5533681

SCHEMBL5533681

CC(On1c(N)nc2nc(-c3ccccc3)nc-2c1N)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.39
MTOR P42345 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3R1 P27986 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL5529045 0.90 ADORA3 (0.34) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL5533682 0.76 NPC1 (0.46) KMT2AMEN1TSHRMAPK1ADORA2A
SCHEMBL5529049 0.68 LTA4H (0.44) ADORA2A
SCHEMBL5528127 0.67 ADORA2A (0.45) KMT2AMEN1HTTALDH1A1CYP1A2
SCHEMBL4907336 0.67 ADORA2A (0.43) KDM4EALDH1A1NPSR1MAPTTSHR
SCHEMBL1326595 0.67 ALDH1A1 (0.54) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL4907346 0.65 ADORA2A (0.41) KMT2AMEN1MTORPIK3CAALDH1A1
SCHEMBL2634918 0.63 MEN1 (0.43) KMT2AMEN1MTORPIK3CAPIK3R1
SCHEMBL11123139 0.63 HPGD (0.40) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL5529061 0.62 POLB (0.35) HTTKDM4EALDH1A1MAPTMAPK1

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-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US 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-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN KMT2A 1195/4885MEN1 2835/4885HTT 2259/4885

“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.