SCHEMBL17640832

SCHEMBL17640832

C=CC(=O)N1CCN(c2ccc(-c3cc(O)cc(Cl)c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 0.47
▸ CYP21A2 P08686 3/20 0.47
▸ CYP11B1 P15538 3/20 0.47
▸ JAK3 P52333 1/20 0.46
▸ ME2 P23368 2/20 0.42
▸ ME1 P48163 2/20 0.42
▸ ME3 Q16798 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ AKR1C3 P42330 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ ACHE P22303 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL21583811 0.80 AKR1C3 (0.61) ME2ME1ME3CA12CA2
SCHEMBL17640813 0.80 JAK3 (0.45) JAK3ME2ME1ME3CA12
SCHEMBL20708290 0.79 RAB9A (0.50) JAK3CA12CA9RAB9AAKR1C3
SCHEMBL17640815 0.79 JAK3 (0.45) JAK3ME2ME1ME3CA12
SCHEMBL17634307 0.79 JAK3 (0.47) JAK3ME2ME1ME3CA12
SCHEMBL17884901 0.74 RAB9A (0.72) CA12CA9RAB9AAKR1C3SMN1; SMN2
SCHEMBL20708157 0.73 JAK3 (0.52) JAK3RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20708184 0.72 ADAMTS5 (0.47) JAK3RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL17640807 0.72 KDM4E (0.46) JAK3ME2ME1ME3SMN1; SMN2
SCHEMBL29773303 0.71 GFER (0.65) ME2ME1ME3CA12CA2

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 CYP17A1 4495/4885CYP21A2 4530/4885CYP11B1 1355/4885
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS CYP17A1 4495/4885CYP21A2 4530/4885CYP11B1 1355/4885

“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.

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