SCHEMBL5528127

SCHEMBL5528127

Cn1c(N)nc2nc(-c3ccccc3)nc-2c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.45
ADORA3 P0DMS8 3/20 0.45
ADORA1 P30542 4/20 0.44
POLB P06746 1/20 0.44
ADORA2B P29275 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
ADK P55263 1/20 0.43
DPP4 P27487 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5532315 0.76 ALDH1A1 (0.42) ADORA2AADORA3ADORA1POLBADORA2B
SCHEMBL633598 0.69 NR1H2 (0.63) ADORA2AADORA3ADORA1POLBADORA2B
SCHEMBL371042 0.68 L3MBTL1 (0.74) ADORA2AADORA3ADORA1POLBADORA2B
SCHEMBL15716944 0.68 ALDH1A1 (0.50) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL3424387 0.67 ADORA2A (0.90) ADORA2AADORA3ADORA1POLBADORA2B
SCHEMBL11585315 0.67 MEN1 (0.79) ADORA2AADORA3ADORA1POLBADORA2B
SCHEMBL12176998 0.67 MEN1 (0.79) ADORA2AADORA3ADORA1POLBADORA2B
SCHEMBL12957698 0.67 KMT2A (0.65) ADORA2AADORA3ADORA1POLBADORA2B
Hydrochloric Acid SCHEMBL15716777 0.67 NR1H2 (0.59) ADORA2AADORA3ADORA1POLBADORA2B
SCHEMBL17720978 0.66 L3MBTL1 (0.70) ADORA2AADORA3ADORA1POLBADORA2B

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 ADORA2A 3008/4885ADORA3 3723/4885ADORA1 4194/4885

“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.