SCHEMBL2957971

SCHEMBL2957971

Nc1nc(-c2ccccc2)c2c(N)nn(CCCN3CCCCC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.47
ADORA2A P29274 14/20 0.47
HRH3 Q9Y5N1 13/20 0.47
ADORA2B P29275 7/20 0.47
ADORA3 P0DMS8 5/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL2948665 0.84 HRH3 (0.47) ADORA1ADORA2AHRH3ADORA2B
SCHEMBL2953623 0.73 TNK2 (0.57) HRH3
SCHEMBL2959696 0.72 TNK2 (0.58)
SCHEMBL11846475 0.70 HSD17B10 (0.60) HRH3SIGMAR1
SCHEMBL10832093 0.70 BCHE (0.46) HRH3SIGMAR1
SCHEMBL10368142 0.70 BCHE (0.46) HRH3SIGMAR1
Hydrochloric Acid SCHEMBL11834393 0.69 HSD17B10 (0.59) HRH3SIGMAR1
SCHEMBL2951939 0.69 SRC (0.57) ADORA1ADORA2AADORA3
SCHEMBL10369845 0.68 BCHE (0.45) HRH3DRD3
SCHEMBL8129925 0.67 PIK3CD (0.50) ADORA1ADORA2AADORA2BADORA3

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 ADORA1 3200/4885ADORA2A 3626/4885HRH3 2295/4885

“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.