SCHEMBL5529045

SCHEMBL5529045

CC(On1c(N)nc2nc(-c3ccccc3)nc-2c1N)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
DPP4 P27487 3/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ACP1 P24666 1/20 0.33
ADK P55263 1/20 0.33
ADORA1 P30542 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5533681 0.90 KMT2A (0.41) ADORA2AALDH1A1MEN1KMT2AMAPT
SCHEMBL5529049 0.74 LTA4H (0.44) ADORA2AADORA1
SCHEMBL5532315 0.74 ALDH1A1 (0.42) ADORA3ADORA2ADPP4ALDH1A1MEN1
SCHEMBL5528127 0.70 ADORA2A (0.45) ADORA3ADORA2ADPP4ALDH1A1MEN1
SCHEMBL5529061 0.69 POLB (0.35) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL6632600 0.62 ALOX15 (0.50) ALDH1A1MEN1KMT2AHRH4GAA
SCHEMBL3160983 0.61 CHRNB4 (0.49) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL4322787 0.60 CHRNB4 (0.47) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL14966522 0.60 CHRNB4 (0.47) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL8154237 0.58 CHRNB2 (0.48)

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 ADORA3 3723/4885ADORA2A 3008/4885DPP4 1578/4885

“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.