SCHEMBL17640862

SCHEMBL17640862

C=CC(=O)N1CCN(c2ccc(-c3cc(O)ccc3Cl)cc2C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.40
LMNA P02545 1/20 0.39
TACR3 P29371 1/20 0.37
XDH P47989 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KRAS P01116 4/20 0.36
ERBB2 P04626 3/20 0.36
EGFR P00533 2/20 0.35
BCL2A1 Q16548 2/20 0.35
BTK Q06187 1/20 0.35
GRM5 P41594 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PDK1 Q15118 1/20 0.35

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
SCHEMBL18842313 0.89 LMNA (0.34) JAK3LMNATACR3XDHCNR1
SCHEMBL17640857 0.83 BTK (0.39) JAK3KRASBCL2A1BTKHSP90AA1
SCHEMBL17640855 0.81 JAK3 (0.46) JAK3ERBB2HSP90AA1HSP90AB1PDK1
SCHEMBL17634307 0.81 JAK3 (0.47) JAK3LMNAHSP90AA1HSP90AB1PDK1
SCHEMBL17640808 0.77 CNR2 (0.50) JAK3CNR1CNR2BCL2A1BTK
SCHEMBL17640805 0.76 HSP90AA1 (0.42) JAK3KRASEGFRBCL2A1HSP90AA1
SCHEMBL16647117 0.75 ERBB2 (0.45) KRASERBB2EGFR
SCHEMBL17640831 0.74 KRAS (0.52) KRASBCL2A1
SCHEMBL21402207 0.73 ERBB2 (0.39) JAK3LMNAKRASERBB2EGFR
SCHEMBL17640830 0.73 KRAS (0.48) KRASBCL2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197870-B1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC (US) 2020-08-19 EP disclosed
EP-3197870-B1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC (US) 2020-08-19 EP disclosed
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2018-05-24 US disclosed
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2018-05-24 US disclosed
US-9862701-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2018-01-09 US disclosed
US-9810690-B2 Method for screening inhibitors of Ras ARAXES PHARMA LLC (US) 2017-11-07 US disclosed
US-9810690-B2 Method for screening inhibitors of Ras ARAXES PHARMA LLC (US) 2017-11-07 US disclosed
US-20170131278-A1 METHOD FOR SCREENING INHIBITORS OF RAS ARAXES PHARMA LLC 2017-05-11 US disclosed
US-20170131278-A1 METHOD FOR SCREENING INHIBITORS OF RAS ARAXES PHARMA LLC 2017-05-11 US disclosed
WO-2017070256-A2 METHOD FOR SCREENING INHIBITORS OF RAS ARAXES PHARMA LLC (US) 2017-04-27 WO disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 US disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 US disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 US disclosed
WO-2016049524-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC (US) 2016-03-31 WO 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 (2 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-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS JAK3 3314/4885LMNA 603/4885TACR3 4407/4885
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS JAK3 3314/4885LMNA 603/4885TACR3 4407/4885

“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.