SCHEMBL14471400

SCHEMBL14471400

Nc1ncnc2c1c(-c1ccccc1)nn2CC(=O)Nc1ccc(CC(N)C(=O)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.56
▸ BTK Q06187 3/20 0.47
▸ FYN P06241 4/20 0.47
▸ HDAC1 Q13547 4/20 0.46
▸ PDGFRB P09619 3/20 0.46
▸ KDR P35968 3/20 0.46
▸ LYN P07948 1/20 0.45
▸ BLK P51451 1/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43
▸ MTOR P42345 1/20 0.42

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
SCHEMBL14471392 0.92 SRC (0.51) SRCBTKFYNHDAC1PDGFRB
SCHEMBL14471388 0.84 SRC (0.48) SRCBTKFYNKDRPIK3CD
SCHEMBL14471396 0.80 SRC (0.43) SRCBTKFYNHDAC1PDGFRB
SCHEMBL28409284 0.78 BTK (0.63) SRCBTKFYNLYNBLK
SCHEMBL28412028 0.77 BTK (0.62) SRCBTKFYNLYNBLK
SCHEMBL28412220 0.77 BTK (0.60) SRCBTKFYNLYNBLK
SCHEMBL13160649 0.77 SRC (0.45) SRCBTKFYNHDAC1PDGFRB
SCHEMBL28409282 0.76 BTK (0.61) SRCBTKFYNLYNBLK
SCHEMBL13183365 0.76 SRC (0.57) SRCBTKFYNLYNBLK
SCHEMBL28415210 0.76 BTK (0.62) SRCBTKFYNLYNBLK

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 2/4885BTK 28/4885FYN 83/4885

“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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