SCHEMBL20004202

SCHEMBL20004202

N#CC=C1CN(OC(=O)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 4/20 0.37
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
PLA2G7 Q13093 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL18975880 0.76 HPGD (0.47) TSHRALDH1A1POLBMAPK1CHRNB2
SCHEMBL25771035 0.74 LMNA (0.47) LMNAF2TSHRKMT2AALDH1A1
SCHEMBL26429014 0.73 LMNA (0.42) LMNAF2TSHRKMT2ATDP1
SCHEMBL2510973 0.70 KMT2A (0.50) LMNAF2TSHRKMT2AALDH1A1
SCHEMBL25939713 0.70 LMNA (0.50) LMNAF2TSHRKMT2AALDH1A1
SCHEMBL25770782 0.69 F2 (0.41) LMNAF2TSHRKMT2AALDH1A1
SCHEMBL1249246 0.68 HPGD (0.53) LMNAF2TSHRKMT2AALDH1A1
SCHEMBL28495717 0.68 HPGD (0.53) LMNAF2TSHRKMT2AALDH1A1
SCHEMBL1266020 0.67 F2 (0.47) LMNAF2TSHRKMT2AALDH1A1
SCHEMBL29098438 0.67 HPGD (0.52) LMNAF2TSHRKMT2AALDH1A1

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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 LMNA 3332/4885F2 1386/4885TSHR 760/4885

“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.