SCHEMBL17640808

SCHEMBL17640808

C=CC(=O)N1CCN(c2ccc(-c3cc(O)ccc3Cl)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.50
ME2 P23368 4/20 0.43
ME1 P48163 4/20 0.43
ME3 Q16798 4/20 0.43
MGLL Q99685 2/20 0.43
RET P07949 2/20 0.43
JAK3 P52333 1/20 0.42
BCL2A1 Q16548 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PDK1 Q15118 1/20 0.42
BTK Q06187 1/20 0.41
CNR1 P21554 1/20 0.41
SRC P12931 2/20 0.40
PDGFRB P09619 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL17640805 0.87 HSP90AA1 (0.42) JAK3BCL2A1HSP90AA1HSP90AB1PDK1
SCHEMBL17634307 0.83 JAK3 (0.47) ME2ME1ME3JAK3HSP90AA1
SCHEMBL17640839 0.78 SRC (0.57) CNR2RETCNR1SRCPDGFRB
SCHEMBL21522073 0.78 PANK3 (0.54) CNR2ME2ME1ME3JAK3
SCHEMBL17640857 0.77 BTK (0.39) JAK3BCL2A1HSP90AA1HSP90AB1PDK1
SCHEMBL17640862 0.77 JAK3 (0.40) CNR2JAK3BCL2A1HSP90AA1HSP90AB1
SCHEMBL17640831 0.77 KRAS (0.52) BCL2A1
SCHEMBL17640815 0.74 JAK3 (0.45) ME2ME1ME3JAK3HSP90AA1
SCHEMBL17640816 0.74 KRAS (0.44) JAK3BCL2A1
SCHEMBL17640830 0.73 KRAS (0.48) BCL2A1

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 9 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-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 CNR2 4205/4885ME2 2315/4885ME1 320/4885
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS CNR2 4205/4885ME2 2315/4885ME1 320/4885

“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.