SCHEMBL2948665

SCHEMBL2948665

CN1CCN(c2ccc(-c3nc(N)nc4c3c(N)nn4CCCN3CCCCC3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
TLR9 Q9NR96 8/20 0.45
SRC P12931 2/20 0.42
YES1 P07947 1/20 0.42
FGR P09769 1/20 0.42
ADORA2A P29274 5/20 0.40
ADORA1 P30542 4/20 0.40
CHEK1 O14757 2/20 0.40
CHKA P35790 1/20 0.38
AURKA O14965 1/20 0.38
CHEK2 O96017 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
LYN P07948 1/20 0.38
CSNK1D P48730 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL2957971 0.84 ADORA1 (0.47) HRH3ADORA2AADORA1ADORA2B
SCHEMBL2957977 0.77 TNK2 (0.46) SRCAURKA
SCHEMBL2949189 0.69 TNK2 (0.46) SRC
SCHEMBL12050742 0.65 HRH3 (1.00) HRH3HRH4
SCHEMBL2953623 0.64 TNK2 (0.57) HRH3SRCYES1AURKAABL1
SCHEMBL5203955 0.62 MAPT (0.59) HRH3
SCHEMBL16510964 0.61 TLR9 (0.90) HRH3TLR9
Hydrochloric Acid SCHEMBL5364971 0.61 MAPT (0.62) HRH3
SCHEMBL27766339 0.60 KHK (0.41) SRCCHEK1AURKACHEK2ABL1
SCHEMBL29258405 0.60 DHFR (0.43) ADORA2AADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763624-B2 Substituted pyrazolo[3,4-d]pyrimidines as ACK-1 and LCK inhibitors AMGEN INC. (US) 2010-07-27 US disclosed
US-20070072851-A1 Pyrazolopyridine and pyrazolopyrimidine compounds AMGEN INC. (US) 2007-03-29 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-20070072851-A1 Pyrazolopyridine and pyrazolopyrimidine compounds LCK, MAP4K5, TPMT HRH3 2295/4885TLR9 2313/4885SRC 64/4885

“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.