SCHEMBL3782927

SCHEMBL3782927

Nc1ncnc2c1c(I)nn2C1CN(C(=O)O)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.63
JAK2 O60674 5/20 0.63
JAK3 P52333 4/20 0.63
DYRK3 O43781 2/20 0.63
CDK1 P06493 2/20 0.63
ROS1 P08922 2/20 0.63
RPS6KB1 P23443 2/20 0.63
CDK2 P24941 2/20 0.63
CSNK1A1 P48729 2/20 0.63
CSNK1D P48730 2/20 0.63
CLK2 P49760 2/20 0.63
IRAK1 P51617 2/20 0.63
CDK5 Q00535 2/20 0.63
DYRK1A Q13627 2/20 0.63
NTRK3 Q16288 2/20 0.63
SLK Q9H2G2 2/20 0.63
CLK4 Q9HAZ1 2/20 0.63
CDC7 O00311 1/20 0.63
PLK4 O00444 1/20 0.63
PRKD3 O94806 1/20 0.63

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
SCHEMBL19681441 0.90 JAK2 (0.58) EGFRJAK2JAK3DYRK3CDK1
SCHEMBL28399962 0.90 JAK2 (0.67) EGFRJAK2JAK3DYRK3CDK1
SCHEMBL25334338 0.90 JAK2 (0.67) EGFRJAK2JAK3DYRK3CDK1
SCHEMBL4826137 0.90 JAK2 (0.67) EGFRJAK2JAK3DYRK3CDK1
SCHEMBL27586636 0.88 EGFR (0.77) EGFRJAK2JAK3DYRK3CDK1
SCHEMBL13860290 0.88 EGFR (0.77) EGFRJAK2JAK3DYRK3CDK1
SCHEMBL4827998 0.88 EGFR (0.77) EGFRJAK2JAK3DYRK3CDK1
SCHEMBL5802174 0.88 JAK2 (0.67) EGFRJAK2JAK3DYRK3CDK1
SCHEMBL17267765 0.85 EGFR (0.80) EGFRJAK2JAK3DYRK3CDK1
Bicarbonate SCHEMBL27088025 0.85 RET (0.80) EGFRJAK2JAK3DYRK3CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US 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
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN 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-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 (3 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 EGFR 1992/4885JAK2 1515/4885JAK3 1336/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B EGFR 3921/4885JAK2 3744/4885JAK3 4013/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 EGFR 2229/4885JAK2 1212/4885JAK3 1066/4885

“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.