SCHEMBL4828333

SCHEMBL4828333

Nc1ncnc2c1c(I)nn2-c1cc[n+]([O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.47
▸ EGFR P00533 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ DYRK3 O43781 2/20 0.41
▸ CDK1 P06493 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
▸ CDC7 O00311 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ JAK2 O60674 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
SCHEMBL24096486 0.81 SRC (0.50) SRCEGFRKDM4EDYRK3CDK1
SCHEMBL13201536 0.81 SRC (0.47) SRCEGFRKDM4EDYRK3CDK1
SCHEMBL5803258 0.77 XDH (0.58) SRCEGFRKDM4EDYRK3CDK1
SCHEMBL2969443 0.77 SRC (0.46) SRCEGFRKDM4EDYRK3CDK1
SCHEMBL4825966 0.73 SRC (0.43) SRCEGFRKDM4EDYRK3CDK1
SCHEMBL4825977 0.73 SRC (0.63) SRCEGFRLCKFYNRET
SCHEMBL14693601 0.71 RAB9A (0.45) SRCEGFRKDM4EMEN1ALDH1A1
SCHEMBL401337 0.71 SRC (0.45) SRCEGFRKDM4EDYRK3CDK1
SCHEMBL14706377 0.70 JAK2 (0.49) SRCEGFRJAK2RET
SCHEMBL22430336 0.69 ADK (0.51) SRCEGFRDYRK3CDK1ROS1

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 10 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
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 — — EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 — — EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 — — US disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 — — EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 — — EP 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
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 — — WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 — — WO 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 SRC 2167/4885EGFR 1992/4885KDM4E 4178/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885EGFR 2229/4885KDM4E 3921/4885

“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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