SCHEMBL14472337

SCHEMBL14472337

CNC(=O)CCCNC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.52
▸ MTOR P42345 4/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ FYN P06241 4/20 0.51
▸ SRC P12931 7/20 0.50
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ BTK Q06187 1/20 0.49
▸ ITK Q08881 1/20 0.49
▸ ABL1 P00519 1/20 0.47
▸ PDGFRB P09619 1/20 0.46

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
SCHEMBL13183365 0.82 SRC (0.57) FYNSRCPIK3CDPIK3CAPIK3CB
SCHEMBL14471386 0.79 PIK3CD (0.63) FYNSRCPIK3CDPIK3CAPIK3CB
SCHEMBL15826973 0.77 FYN (0.57) FYNSRCPIK3CDPIK3CAPIK3CB
SCHEMBL14471390 0.76 SRC (0.53) FYNSRCPIK3CDPIK3CAPIK3CB
SCHEMBL14471394 0.75 SRC (0.61) HDAC1MTORFYNSRCPIK3CD
SCHEMBL14471387 0.74 SRC (0.64) HDAC1MTORFYNSRCPIK3CD
SCHEMBL14471393 0.74 SRC (0.73) FYNSRCPIK3CDPIK3CAPIK3CB
SCHEMBL28468967 0.73 BTK (0.65) FYNSRCPIK3CDPIK3CAPIK3CB
SCHEMBL22432864 0.73 BTK (0.68) FYNSRCEGFRLCKJAK3
SCHEMBL15826968 0.73 PIK3CD (0.73) MTORFYNSRCPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173437-A1 BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS RHODE ISLAND BOARD OF EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS 2007-07-26 — — 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-20070173437-A1 BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS DSTYK, SRC, PTK2B HDAC1 4816/4885MTOR 113/4885HDAC3 4819/4885

“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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