SCHEMBL16419774

SCHEMBL16419774

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ F10 P00742 2/20 0.34
▸ F9 P00740 1/20 0.34
▸ PRSS1 P07477 8/20 0.34
▸ TMPRSS2 O15393 1/20 0.34
▸ PLAU P00749 2/20 0.34
▸ F2 P00734 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.33

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
SCHEMBL16419763 0.94 F9 (0.32) ABL1ABCB1BCRF10F9
SCHEMBL15037015 0.86 PRSS1 (0.42) F10PRSS1F2L3MBTL1
SCHEMBL16419773 0.82 L3MBTL1 (0.43) F10PRSS1F2L3MBTL1
SCHEMBL15805867 0.82 F9 (0.36) F10F9PRSS1TMPRSS2
SCHEMBL15036995 0.81 PRSS1 (0.38) F10PRSS1F2L3MBTL1
SCHEMBL16419736 0.80 L3MBTL1 (0.40) F10PRSS1L3MBTL1
SCHEMBL15139164 0.79 ICMT (0.33) F10
SCHEMBL16169694 0.77 F9 (0.34) F10F9L3MBTL1
SCHEMBL16419740 0.76 L3MBTL1 (0.45) F10PRSS1F2L3MBTL1
SCHEMBL16419772 0.76 CSF3R (0.42) ABL1ABCB1BCR

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 3 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
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 ABL1 4833/4885ABCB1 4096/4885BCR 3629/4885

“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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