SCHEMBL4826535

SCHEMBL4826535

COc1cc(-c2nn(C3CCNCC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 1.00
FYN P06241 2/20 0.81
BTK Q06187 1/20 0.60
SRC P12931 5/20 0.58
TEK Q02763 3/20 0.58
EGFR P00533 3/20 0.54
PIK3CD O00329 1/20 0.54
ABL1 P00519 1/20 0.54
HCK P08631 1/20 0.54
KDR P35968 1/20 0.54
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
MTOR P42345 1/20 0.54
PIK3CG P48736 1/20 0.54
EPHB4 P54760 1/20 0.54
PRKDC P78527 1/20 0.54
PI4KB Q9UBF8 1/20 0.54

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
Acetic Acid SCHEMBL4824731 0.98 LCK (0.96) LCKFYNBTKSRCTEK
Acetic Acid SCHEMBL4820715 0.93 LCK (0.86) LCKFYNBTKSRCTEK
SCHEMBL6433613 0.92 LCK (1.00) LCKFYNBTKSRCTEK
SCHEMBL4822226 0.92 LCK (0.86) LCKFYNBTKSRCTEK
SCHEMBL4822211 0.92 LCK (0.94) LCKFYNBTKSRCTEK
SCHEMBL4823651 0.92 LCK (0.84) LCKFYNBTKSRCTEK
SCHEMBL4828050 0.91 LCK (0.87) LCKFYNBTKSRCTEK
SCHEMBL14106800 0.91 LCK (0.83) LCKFYNBTKSRCTEK
SCHEMBL14268404 0.91 LCK (0.83) LCKFYNBTKSRCTEK
SCHEMBL6433008 0.90 LCK (0.86) LCKFYNBTKSRCTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7400979-B2 Kinase inhibitors; genetic engineering ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-7400979-B2 Kinase inhibitors; genetic engineering ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 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-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 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 (3 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 LCK 1/4885FYN 3/4885BTK 42/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 LCK 1534/4885FYN 1116/4885BTK 1399/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 LCK 1011/4885FYN 896/4885BTK 1020/4885

“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.