SCHEMBL20176308

SCHEMBL20176308

CC(C)CC(C)(CO)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.60
CTSS P25774 4/20 0.59
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTSK P43235 5/20 0.47
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.46
SYK P43405 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6962076 0.88 AAK1 (0.59) AAK1CTSSMEN1KMT2ANPC1
SCHEMBL6962080 0.88 AAK1 (0.59) AAK1CTSSMEN1KMT2ANPC1
SCHEMBL6961702 0.86 AAK1 (0.57) AAK1CTSSMEN1KMT2ANPC1
SCHEMBL28199963 0.85 MEN1 (0.52) AAK1CTSSMEN1KMT2ANPC1
SCHEMBL28199962 0.85 MEN1 (0.52) AAK1CTSSMEN1KMT2ANPC1
SCHEMBL15721183 0.85 MEN1 (0.52) AAK1CTSSMEN1KMT2ANPC1
SCHEMBL15698608 0.83 MEN1 (0.54) AAK1CTSSMEN1KMT2ANPC1
SCHEMBL16974942 0.83 KMT2A (0.51) AAK1CTSSMEN1KMT2ANPC1
SCHEMBL31152353 0.81 MEN1 (0.49) AAK1CTSSMEN1KMT2ANPC1
SCHEMBL16970626 0.81 MEN1 (0.52) AAK1CTSSMEN1KMT2ANPC1

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-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 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-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885CTSS 4146/4885MEN1 4002/4885

“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.