SCHEMBL5804211

SCHEMBL5804211

Cc1cccc(NC(=O)Nc2ccc(-c3nn(C(C)C(N)=O)c4ncnc(N)c34)cc2F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 2/20 0.59
▸ AURKA O14965 2/20 0.59
▸ IKBKE Q14164 1/20 0.59
▸ KDR P35968 13/20 0.59
▸ FLT3 P36888 4/20 0.59
▸ KIT P10721 3/20 0.59
▸ RET P07949 3/20 0.54
▸ SRC P12931 7/20 0.51
▸ PDGFRB P09619 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ PIK3CD O00329 5/20 0.49
▸ ABL1 P00519 5/20 0.49
▸ EGFR P00533 5/20 0.49
▸ PIK3CA P42336 5/20 0.49
▸ PIK3CG P48736 5/20 0.49
▸ PRKDC P78527 5/20 0.49
▸ HCK P08631 4/20 0.49
▸ PIK3CB P42338 4/20 0.49
▸ MTOR P42345 4/20 0.49
▸ EPHB4 P54760 4/20 0.49

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
SCHEMBL15978893 0.93 RET (0.62) AURKBAURKAIKBKEKDRFLT3
SCHEMBL5802933 0.91 AURKA (0.56) AURKBAURKAIKBKEKDRFLT3
SCHEMBL5823907 0.88 AURKA (0.58) AURKBAURKAIKBKEKDRFLT3
SCHEMBL14985444 0.84 RET (0.68) KDRRETSRCPIK3CDABL1
SCHEMBL6437239 0.83 KDR (0.66) AURKBAURKAIKBKEKDRFLT3
SCHEMBL14985435 0.82 RET (0.73) AURKBAURKAKDRFLT3KIT
SCHEMBL15978894 0.82 RET (0.67) AURKBAURKAKDRFLT3KIT
SCHEMBL12120716 0.81 AURKB (0.78) AURKBAURKAIKBKEKDRFLT3
SCHEMBL5801797 0.81 AURKA (0.57) AURKBAURKAIKBKEKDRFLT3
SCHEMBL5823912 0.80 KDR (0.52) AURKBAURKAIKBKEKDRFLT3

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 8 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
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 AURKB 1952/4885AURKA 2294/4885IKBKE 1020/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 AURKB 481/4885AURKA 443/4885IKBKE 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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