SCHEMBL5801797

SCHEMBL5801797

CCOC(=O)Cn1nc(-c2ccc(NC(=O)Nc3cccc(C)c3)c(F)c2)c2c(N)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.57
▸ AURKB Q96GD4 2/20 0.57
▸ IKBKE Q14164 1/20 0.57
▸ KDR P35968 15/20 0.56
▸ KIT P10721 8/20 0.56
▸ FLT3 P36888 6/20 0.56
▸ PDGFRB P09619 4/20 0.55
▸ HDAC1 Q13547 4/20 0.55
▸ RIPK1 Q13546 1/20 0.47
▸ SRC P12931 2/20 0.46
▸ LCK P06239 3/20 0.46
▸ RET P07949 2/20 0.46
▸ FGFR1 P11362 2/20 0.46
▸ SYK P43405 2/20 0.46
▸ BLK P51451 2/20 0.46
▸ MAP4K5 Q9Y4K4 2/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ PDGFRA P16234 1/20 0.46

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
SCHEMBL5803692 0.91 KDR (0.62) AURKAAURKBIKBKEKDRKIT
SCHEMBL5802933 0.86 AURKA (0.56) AURKAAURKBIKBKEKDRKIT
SCHEMBL6437239 0.85 KDR (0.66) AURKAAURKBIKBKEKDRKIT
SCHEMBL7702164 0.85 AURKA (0.56) AURKAAURKBIKBKEKDRKIT
SCHEMBL5801783 0.85 AURKB (0.53) AURKAAURKBIKBKEKDRKIT
SCHEMBL6431834 0.84 ABL1 (0.57) KDRPDGFRBHDAC1RIPK1SRC
SCHEMBL5822926 0.83 KDR (0.49) AURKAAURKBIKBKEKDRKIT
SCHEMBL5823907 0.83 AURKA (0.58) AURKAAURKBIKBKEKDRKIT
SCHEMBL15978893 0.83 RET (0.62) AURKAAURKBIKBKEKDRKIT
SCHEMBL5804211 0.81 AURKB (0.59) AURKAAURKBIKBKEKDRKIT

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
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
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 — — US disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 — — WO 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 (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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN AURKA 2294/4885AURKB 1952/4885IKBKE 1020/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 AURKA 443/4885AURKB 481/4885IKBKE 2508/4885

“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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