SCHEMBL3778669

SCHEMBL3778669

COC(=O)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 9/20 0.58
▸ ABL1 P00519 8/20 0.58
▸ EGFR P00533 7/20 0.58
▸ KDR P35968 6/20 0.58
▸ HCK P08631 6/20 0.58
▸ FYN P06241 3/20 0.58
▸ BTK Q06187 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ LYN P07948 2/20 0.58
▸ BLK P51451 2/20 0.58
▸ DAPK3 O43293 1/20 0.58
▸ RIPK2 O43353 1/20 0.58
▸ LCK P06239 1/20 0.58
▸ YES1 P07947 1/20 0.58
▸ PDGFRB P09619 1/20 0.58
▸ FGR P09769 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ PDGFRA P16234 1/20 0.58
▸ PRKACA P17612 1/20 0.58
▸ EPHB2 P29323 1/20 0.58

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
SCHEMBL3788008 0.86 SRC (0.62) SRCABL1EGFRKDRHCK
SCHEMBL13019903 0.84 SRC (0.58) SRCABL1EGFRKDRHCK
SCHEMBL13064031 0.83 SRC (0.58) SRCABL1EGFRKDRHCK
SCHEMBL3779241 0.83 SRC (0.55) SRCABL1EGFRKDRHCK
SCHEMBL13064038 0.82 ABL1 (0.48) SRCABL1EGFRKDRHCK
SCHEMBL13019905 0.82 SRC (0.58) SRCABL1EGFRKDRHCK
SCHEMBL13064032 0.81 NUDT14 (0.49) SRCABL1EGFRKDRHCK
SCHEMBL13019941 0.81 SRC (0.60) SRCABL1EGFRKDRHCK
SCHEMBL13019896 0.80 ABL1 (0.54) SRCABL1EGFRKDRHCK
SCHEMBL3781508 0.77 SRC (0.58) SRCABL1EGFRKDRHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 — — 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SRC 1332/4885ABL1 1725/4885EGFR 3921/4885

“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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