SCHEMBL5804101

SCHEMBL5804101

CC(C)(C)OC(=O)N1CCC(O)(Cn2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.44
SRC P12931 8/20 0.41
EGFR P00533 4/20 0.41
MAP4K4 O95819 2/20 0.41
JAK2 O60674 2/20 0.38
JAK3 P52333 1/20 0.38
ABL1 P00519 3/20 0.38
ABL2 P42684 2/20 0.38
BLK P51451 3/20 0.38
LCK P06239 2/20 0.38
FYN P06241 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
CDK1 P06493 1/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 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
SCHEMBL7167170 0.85 JAK2 (0.42) SRCEGFRMAP4K4JAK2JAK3
SCHEMBL14617314 0.82 TGFBR1 (0.62) TGFBR1SRCEGFRJAK2JAK3
SCHEMBL30405231 0.82 TGFBR1 (0.62) TGFBR1SRCEGFRJAK2JAK3
SCHEMBL5823902 0.80 ABL1 (0.54) TGFBR1SRCEGFRABL1FYN
SCHEMBL31046965 0.79 TGFBR1 (0.54) TGFBR1SRCEGFRJAK2JAK3
SCHEMBL17267609 0.79 TGFBR1 (0.54) TGFBR1SRCEGFRJAK2JAK3
SCHEMBL17267691 0.78 TGFBR1 (0.64) TGFBR1SRCEGFRJAK2JAK3
SCHEMBL31046956 0.78 TGFBR1 (0.64) TGFBR1SRCEGFRJAK2JAK3
SCHEMBL2965560 0.78 SRC (0.58) TGFBR1SRCEGFRMAP4K4JAK2
SCHEMBL29503478 0.78 SRC (0.58) TGFBR1SRCEGFRMAP4K4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 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
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP 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

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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 TGFBR1 3604/4885SRC 1834/4885EGFR 2229/4885

“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.