SCHEMBL13201536

SCHEMBL13201536

CCc1ccc(-n2nc(I)c3c(N)ncnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.47
▸ EGFR P00533 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ RET P07949 3/20 0.41
▸ CDK1 P06493 3/20 0.41
▸ DYRK3 O43781 2/20 0.41
▸ ROS1 P08922 2/20 0.41
▸ RPS6KB1 P23443 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CSNK1A1 P48729 2/20 0.41
▸ CSNK1D P48730 2/20 0.41
▸ CLK2 P49760 2/20 0.41
▸ IRAK1 P51617 2/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ NTRK3 Q16288 2/20 0.41
▸ SLK Q9H2G2 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ CDC7 O00311 1/20 0.41

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
SCHEMBL25678064 0.82 PIK3CG (0.48) SRCKDM4ERETCDK1DYRK3
SCHEMBL24096486 0.81 SRC (0.50) SRCEGFRKDM4ERETCDK1
SCHEMBL4828333 0.81 SRC (0.47) SRCEGFRKDM4ERETCDK1
SCHEMBL2969443 0.80 SRC (0.46) SRCEGFRKDM4ERETCDK1
SCHEMBL5803258 0.77 XDH (0.58) SRCEGFRKDM4ERETCDK1
SCHEMBL2967131 0.75 HRH3 (0.39) SRCEGFRKDM4EMAP4K4MAPK1
SCHEMBL868744 0.73 PIK3CD (0.51) SRCEGFRKDM4ERETCDK1
SCHEMBL4825966 0.73 SRC (0.43) SRCEGFRKDM4ERETCDK1
SCHEMBL14706376 0.73 JAK3 (0.41) SRCEGFRKDM4ERETCDK1
SCHEMBL14706377 0.72 JAK2 (0.49) SRCEGFRRETJAK2

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-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 SRC 106/4885EGFR 591/4885KDM4E 2606/4885

“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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