SCHEMBL17040355

SCHEMBL17040355

CC(C)C(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 7/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
CTSK P43235 1/20 0.50
CGAS Q8N884 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MCL1 Q07820 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
CFTR P13569 2/20 0.44
CHEK1 O14757 1/20 0.42
ABL1 P00519 1/20 0.42
MET P08581 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 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
SCHEMBL17037442 0.91 BAZ2B (0.49) BAZ2BMAPTLMNACTSKCGAS
SCHEMBL21243082 0.81 MAPT (0.76) BAZ2BMAPTLMNAKMT2AMEN1
SCHEMBL22429251 0.81 CGAS (0.73) BAZ2BMAPTLMNACTSKCGAS
SCHEMBL26131221 0.77 BAZ2B (0.46) BAZ2BMAPTLMNACGASKMT2A
SCHEMBL26131225 0.77 BAZ2B (0.46) BAZ2BMAPTLMNACGASKMT2A
SCHEMBL168661 0.77 CHRNA7 (0.60) CTSKCYP1A2CYP2D6CYP2C9TAAR1
SCHEMBL17040277 0.71 GPX4 (0.67) BAZ2BMAPTLMNAKDM4E
SCHEMBL26129904 0.70 CGAS (0.44) BAZ2BMAPTLMNACGASKMT2A
SCHEMBL26129902 0.70 CGAS (0.44) BAZ2BMAPTLMNACGASKMT2A
SCHEMBL8359594 0.70 PARP1 (0.63) BAZ2BMAPTLMNAKMT2AMEN1

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-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 BAZ2B 1073/4885MAPT 3750/4885LMNA 4818/4885

“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.