SCHEMBL2962536

SCHEMBL2962536

COCCN1CCN(CC#CCn2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ SRC P12931 3/20 0.40
▸ YES1 P07947 2/20 0.40
▸ FGR P09769 2/20 0.40
▸ JAK2 O60674 3/20 0.38
▸ FYN P06241 2/20 0.38
▸ DYRK3 O43781 2/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ RET P07949 2/20 0.38
▸ ROS1 P08922 2/20 0.38
▸ RPS6KB1 P23443 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CSNK1A1 P48729 2/20 0.38
▸ CSNK1D P48730 2/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ IRAK1 P51617 2/20 0.38
▸ CDK5 Q00535 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ NTRK3 Q16288 2/20 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
SCHEMBL24096870 0.81 SRC (0.45) MAP4K4PIK3CDSRCYES1FGR
SCHEMBL2961813 0.81 JAK2 (0.43) MAP4K4PIK3CDSRCJAK2FYN
SCHEMBL2962699 0.79 JAK2 (0.43) MAP4K4PIK3CDSRCYES1FGR
SCHEMBL2962694 0.79 JAK2 (0.40) MAP4K4PIK3CDSRCYES1FGR
SCHEMBL4818639 0.78 SRC (0.59) MAP4K4SRCJAK2FYNDYRK3
SCHEMBL18258356 0.76 SRC (0.64) MAP4K4PIK3CDSRCYES1FGR
SCHEMBL4818634 0.74 JAK2 (0.54) MAP4K4SRCJAK2FYNDYRK3
SCHEMBL4825100 0.74 SRC (0.56) MAP4K4PIK3CDSRCYES1FGR
SCHEMBL17936088 0.74 MAPK1 (0.47) MAP4K4PIK3CDSRCJAK2FYN
SCHEMBL4818423 0.73 JAK2 (0.56) MAP4K4SRCJAK2FYNDYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 — — EP disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 — — US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 — — 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-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 MAP4K4 42/4885PIK3CD 264/4885SRC 106/4885

“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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