SCHEMBL4818634

SCHEMBL4818634

COCCN1CCC(n2nc(I)c3c(N)ncnc32)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.54
▸ SRC P12931 5/20 0.54
▸ CDC7 O00311 1/20 0.54
▸ PLK4 O00444 1/20 0.54
▸ DYRK3 O43781 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ NTRK1 P04629 1/20 0.54
▸ INSR P06213 1/20 0.54
▸ LCK P06239 1/20 0.54
▸ FYN P06241 1/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ RET P07949 1/20 0.54
▸ ROS1 P08922 1/20 0.54
▸ FER P16591 1/20 0.54
▸ PRKACA P17612 1/20 0.54
▸ RPS6KB1 P23443 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ MARK3 P27448 1/20 0.54
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL4818418 0.94 JAK2 (0.56) JAK2SRCCDC7PLK4DYRK3
SCHEMBL4818423 0.94 JAK2 (0.56) JAK2SRCCDC7PLK4DYRK3
SCHEMBL4818639 0.94 SRC (0.59) JAK2SRCCDC7PLK4DYRK3
Acetic Acid SCHEMBL4819303 0.89 JAK3 (0.58) JAK2SRCCDC7PLK4DYRK3
Acetic Acid SCHEMBL4819297 0.89 JAK3 (0.58) JAK2SRCCDC7PLK4DYRK3
SCHEMBL29388058 0.88 SRC (0.57) JAK2SRCCDC7PLK4DYRK3
SCHEMBL3782860 0.82 JAK2 (0.63) JAK2SRCCDC7PLK4DYRK3
SCHEMBL13020470 0.82 JAK2 (0.63) JAK2SRCCDC7PLK4DYRK3
SCHEMBL2960099 0.80 SRC (0.55) JAK2SRCCDC7PLK4DYRK3
SCHEMBL7701757 0.79 JAK2 (0.67) JAK2SRCCDC7PLK4DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 — — US disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 — — US disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 — — US disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 — — 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 (2 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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 JAK2 1515/4885SRC 2167/4885CDC7 2811/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 JAK2 1212/4885SRC 1834/4885CDC7 2537/4885

“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.

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