SCHEMBL3139892

SCHEMBL3139892

COC(C)(C)CCn1nc(N)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.77
KDR P35968 2/20 0.51
LCK P06239 1/20 0.51
JAK3 P52333 1/20 0.51
TEK Q02763 1/20 0.51
BTK Q06187 1/20 0.51
FLT3 P36888 1/20 0.47
CDK4 P11802 4/20 0.47
CCND1 P24385 2/20 0.47
EGFR P00533 2/20 0.47
AURKA O14965 2/20 0.47
CCND2 P30279 1/20 0.47
CCND3 P30281 1/20 0.47
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
WEE1 P30291 3/20 0.46
PLK1 P53350 3/20 0.46

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
SCHEMBL2955963 0.85 TNK2 (0.70) TNK2KDRLCKJAK3TEK
SCHEMBL30338621 0.82 TNK2 (1.00) TNK2KDRLCKJAK3TEK
SCHEMBL2953363 0.78 TNK2 (0.64) TNK2KDRLCKJAK3TEK
SCHEMBL30338625 0.77 TNK2 (1.00) TNK2KDRLCKJAK3TEK
SCHEMBL2958052 0.74 TNK2 (0.84) TNK2KDRLCKJAK3TEK
SCHEMBL30338409 0.74 TNK2 (0.84) TNK2KDRLCKJAK3TEK
SCHEMBL2952193 0.73 TNK2 (0.64) TNK2KDRLCKJAK3TEK
SCHEMBL12064950 0.71 CDK4 (0.62) KDRFLT3CDK4CCND1EGFR
SCHEMBL30620425 0.71 CDK4 (0.67) FLT3CDK4CCND1EGFRCCND3
SCHEMBL270386 0.71 CDK4 (0.67) FLT3CDK4CCND1EGFRCCND3

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 TNK2 113/4885KDR 1313/4885LCK 1/4885

“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.