SCHEMBL14471394

SCHEMBL14471394

Nc1ncnc2c1c(-c1ccccc1)nn2CCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.61
▸ FYN P06241 3/20 0.58
▸ HDAC1 Q13547 5/20 0.56
▸ MTOR P42345 3/20 0.56
▸ EGFR P00533 3/20 0.54
▸ LCK P06239 2/20 0.54
▸ JAK3 P52333 2/20 0.54
▸ BTK Q06187 2/20 0.54
▸ ITK Q08881 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ PIK3CD O00329 2/20 0.53
▸ PIK3CA P42336 2/20 0.53
▸ PIK3CB P42338 2/20 0.53
▸ PIK3CG P48736 2/20 0.53
▸ PRKDC P78527 2/20 0.53
▸ MAP2K5 Q13163 1/20 0.53

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
SCHEMBL14471387 0.93 SRC (0.64) SRCFYNHDAC1MTOREGFR
SCHEMBL14471386 0.85 PIK3CD (0.63) SRCFYNEGFRBTKPIK3CD
SCHEMBL29677976 0.84 SRC (0.65) SRCFYNMTOREGFRBTK
SCHEMBL14086355 0.84 SRC (0.66) SRCFYNEGFRKDM4EPIK3CD
SCHEMBL28477160 0.81 BTK (0.66) HDAC1MTOREGFRLCKJAK3
SCHEMBL17267665 0.80 HDAC1 (0.47) SRCFYNHDAC1MTOREGFR
SCHEMBL15826975 0.79 FYN (0.68) SRCFYNEGFRBTKKDM4E
SCHEMBL15826968 0.78 PIK3CD (0.73) SRCFYNMTOREGFRBTK
SCHEMBL12551792 0.78 SRC (0.64) SRCFYNEGFRBTKPIK3CD
SCHEMBL19282991 0.78 MTOR (0.82) HDAC1MTORPIK3CDPIK3CAPIK3CB

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 SRC 2/4885FYN 83/4885HDAC1 4816/4885

“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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