SCHEMBL6430376

SCHEMBL6430376

CC(C)(C)OC(=O)Nc1ccc(-c2nn(C3CCN(C(=O)O)CC3)c3ncnc(N)c23)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.55
▸ LCK P06239 8/20 0.55
▸ PTK6 Q13882 5/20 0.55
▸ KDR P35968 5/20 0.54
▸ PIK3CD O00329 4/20 0.54
▸ EGFR P00533 4/20 0.54
▸ PIK3CA P42336 4/20 0.54
▸ PIK3CG P48736 4/20 0.54
▸ PRKDC P78527 4/20 0.54
▸ PI4KB Q9UBF8 3/20 0.54
▸ BACE1 P56817 1/20 0.54
▸ SRC P12931 10/20 0.54
▸ HCK P08631 3/20 0.53
▸ PIK3CB P42338 3/20 0.53
▸ MTOR P42345 3/20 0.53
▸ EPHB4 P54760 3/20 0.53
▸ FYN P06241 2/20 0.52
▸ TEK Q02763 2/20 0.51
▸ LIMK1 P53667 1/20 0.51
▸ LIMK2 P53671 1/20 0.51

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
SCHEMBL5801348 0.94 ABL1 (0.57) ABL1LCKPTK6KDRPIK3CD
SCHEMBL6431567 0.84 LCK (0.57) ABL1LCKKDRPIK3CDEGFR
SCHEMBL5802530 0.83 LCK (0.54) ABL1LCKKDRPIK3CDEGFR
SCHEMBL4822893 0.83 SRC (0.73) ABL1LCKPTK6KDRPIK3CD
SCHEMBL6430728 0.83 SRC (0.61) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL29999058 0.81 KDR (0.57) ABL1LCKKDRPIK3CDEGFR
SCHEMBL27088072 0.81 KDR (0.57) ABL1LCKKDRPIK3CDEGFR
SCHEMBL27088060 0.81 BTK (0.59) ABL1LCKPTK6KDREGFR
SCHEMBL29998425 0.81 BTK (0.59) ABL1LCKPTK6KDREGFR
SCHEMBL24096754 0.81 SRC (0.56) ABL1LCKPTK6KDRPIK3CD

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
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-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 — — EP disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 — — US disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 — — CN disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 — — US 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 (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 ABL1 124/4885LCK 1011/4885PTK6 1543/4885

“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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