SCHEMBL12105019

SCHEMBL12105019

C=CS(=O)(=O)N1CCC(n2nc(-c3ccc(OC)c(OC)c3)c3c(N)ncnc32)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 14/20 0.70
▸ PIK3CD O00329 11/20 0.70
▸ ABL1 P00519 10/20 0.70
▸ EGFR P00533 10/20 0.70
▸ HCK P08631 10/20 0.70
▸ KDR P35968 10/20 0.70
▸ PIK3CA P42336 10/20 0.70
▸ PIK3CB P42338 10/20 0.70
▸ MTOR P42345 10/20 0.70
▸ PIK3CG P48736 10/20 0.70
▸ EPHB4 P54760 10/20 0.70
▸ PRKDC P78527 10/20 0.70
▸ PI4KB Q9UBF8 9/20 0.70
▸ ITK Q08881 1/20 0.64
▸ BTK Q06187 4/20 0.57
▸ FGFR1 P11362 1/20 0.55
▸ FGFR2 P21802 1/20 0.55
▸ FGFR4 P22455 1/20 0.55
▸ FGFR3 P22607 1/20 0.55
▸ LCK P06239 2/20 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
SCHEMBL3603658 0.83 PIK3CD (1.00) SRCPIK3CDABL1EGFRHCK
SCHEMBL21067912 0.83 PIK3CD (1.00) SRCPIK3CDABL1EGFRHCK
SCHEMBL410045 0.82 BTK (0.81) SRCABL1EGFRHCKKDR
SCHEMBL1497692 0.79 ITK (0.65) SRCPIK3CDABL1EGFRHCK
SCHEMBL2397532 0.78 SRC (0.63) SRCPIK3CDABL1EGFRHCK
SCHEMBL2397534 0.78 SRC (0.63) SRCPIK3CDABL1EGFRHCK
SCHEMBL4827163 0.78 SRC (0.83) SRCPIK3CDABL1EGFRHCK
SCHEMBL14706432 0.78 FGFR2 (0.74) SRCPIK3CDABL1EGFRHCK
SCHEMBL1497600 0.78 ITK (0.64) SRCPIK3CDABL1EGFRHCK
SCHEMBL29351053 0.77 FGFR2 (0.73) SRCPIK3CDABL1EGFRHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 — — US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 — — US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 — — US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 — — US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 — — US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 — — 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP SRC 316/4885PIK3CD 4347/4885ABL1 367/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP SRC 316/4885PIK3CD 4347/4885ABL1 367/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP SRC 316/4885PIK3CD 4347/4885ABL1 367/4885

“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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