SCHEMBL16419763

SCHEMBL16419763

C=C(N)NCCCOc1cc(OCCCNC(=N)N)cc(-c2ccc3ccc(-c4cc(OCCCNC(=N)N)cc(OCCCNC(=N)N)c4)cc3c2)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 1/20 0.32
▸ F10 P00742 2/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ PRSS1 P07477 7/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ ROS1 P08922 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ IRAK1 P51617 1/20 0.31

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
SCHEMBL16419774 0.94 ABL1 (0.35) F9F10ABL1ABCB1BCR
SCHEMBL15037015 0.80 PRSS1 (0.42) F10PRSS1F2L3MBTL1
SCHEMBL16419773 0.77 L3MBTL1 (0.43) F10PRSS1F2L3MBTL1
SCHEMBL15805867 0.77 F9 (0.36) F9F10PRSS1TMPRSS2
SCHEMBL15036995 0.76 PRSS1 (0.38) F10PRSS1F2L3MBTL1
SCHEMBL16419736 0.75 L3MBTL1 (0.40) F10PRSS1L3MBTL1
SCHEMBL15139164 0.74 ICMT (0.33) F10
SCHEMBL16169694 0.72 F9 (0.34) F9F10PIM1L3MBTL1
SCHEMBL16419740 0.72 L3MBTL1 (0.45) F10PRSS1F2L3MBTL1
SCHEMBL16419772 0.71 CSF3R (0.42) ABL1ABCB1BCRDYRK3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469616-B2 Cyclic compounds and methods of making and using the same CELLCEUTIX CORPORATION (US) 2016-10-18 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — US 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-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MUC1, TLR3, ALG1 F9 2235/4885F10 1930/4885ABL1 4833/4885

“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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