SCHEMBL18179511

SCHEMBL18179511

COC(=O)[C@@H](C)Cn1cc(N)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 1/20 0.34
KLKB1 P03952 3/20 0.33
KLK1 P06870 1/20 0.33
AR P10275 2/20 0.33
CYP2C19 P33261 1/20 0.33
NLRP3 Q96P20 1/20 0.33
MAPK1 P28482 1/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL28518544 0.82 OPRK1 (0.44) ACHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL17076744 0.76 MEN1 (0.43) ACHEMEN1KMT2AALDH1A1MAPT
SCHEMBL15651587 0.76 MEN1 (0.43) ACHEMEN1KMT2AALDH1A1MAPT
SCHEMBL1662568 0.75 ACHE (0.42) ACHEMEN1KMT2AALDH1A1HPGD
SCHEMBL15894907 0.75 ACHE (0.42) ACHEMEN1KMT2AALDH1A1HPGD
SCHEMBL1703536 0.75 ACHE (0.42) ACHEMEN1KMT2AALDH1A1HPGD
SCHEMBL2729216 0.75 ACHE (0.53) ACHEMEN1KMT2AALDH1A1MAPT
SCHEMBL13739798 0.74 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL18380630 0.74 FFAR1 (0.52) ACHEHIF1AKLKB1
SCHEMBL31521038 0.74 MEN1 (0.44) ACHEMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 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-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ACHE 4205/4885MEN1 4232/4885KMT2A 1470/4885

“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.