SCHEMBL5801327

SCHEMBL5801327

Cc1cccc(NC(=O)Nc2ccc(-c3nn(-c4ncccc4C#N)c4ncnc(N)c34)cc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.56
▸ AURKB Q96GD4 3/20 0.56
▸ IKBKE Q14164 1/20 0.56
▸ KDR P35968 17/20 0.54
▸ FLT3 P36888 8/20 0.54
▸ KIT P10721 8/20 0.54
▸ RIPK1 Q13546 1/20 0.47
▸ PDGFRB P09619 4/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ FLT1 P17948 4/20 0.45
▸ LCK P06239 4/20 0.45
▸ RET P07949 4/20 0.45
▸ FGFR1 P11362 4/20 0.45
▸ BLK P51451 4/20 0.45
▸ MAP4K5 Q9Y4K4 4/20 0.45
▸ ROCK2 O75116 4/20 0.45
▸ SYK P43405 3/20 0.45
▸ MAP4K4 O95819 3/20 0.45
▸ CSF1R P07333 3/20 0.45
▸ LYN P07948 3/20 0.45

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
SCHEMBL5802029 0.85 ABL1 (0.51) KDRFLT3RIPK1LCKBLK
SCHEMBL6431200 0.83 AURKB (0.52) AURKAAURKBIKBKEKDRFLT3
SCHEMBL15978893 0.80 RET (0.62) AURKAAURKBIKBKEKDRFLT3
SCHEMBL5801898 0.79 SRC (0.54) KDRABL1SRCPIK3CDEGFR
SCHEMBL5804211 0.78 AURKB (0.59) AURKAAURKBIKBKEKDRFLT3
SCHEMBL5823907 0.78 AURKA (0.58) AURKAAURKBIKBKEKDRFLT3
SCHEMBL6437239 0.77 KDR (0.66) AURKAAURKBIKBKEKDRFLT3
SCHEMBL5801797 0.77 AURKA (0.57) AURKAAURKBIKBKEKDRFLT3
SCHEMBL6434464 0.76 LCK (0.56) AURKAAURKBIKBKEKDRFLT3
SCHEMBL5804562 0.76 AURKA (0.56) AURKAAURKBIKBKEKDRFLT3

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 11 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-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 — — EP 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
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 — — EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 — — 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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