SCHEMBL17634271

SCHEMBL17634271

C=CC(=O)N1CCN(c2ccc(Br)c3cn[nH]c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.42
▸ KRAS P01116 5/20 0.42
▸ HTR6 P50406 1/20 0.36
▸ TRPV1 Q8NER1 5/20 0.36
▸ BTK Q06187 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CDK14 O94921 1/20 0.34
▸ CCNY Q8ND76 1/20 0.34
▸ IDH1 O75874 1/20 0.34

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
SCHEMBL17634311 0.86 HTR6 (0.41) HTR6TRPV1PIK3CDPIK3CAPIK3CB
SCHEMBL17634298 0.80 CKS1B (0.45) KIT
SCHEMBL28587642 0.78 POLB (0.44) HTR6PIK3CDPIK3CAPIK3CB
SCHEMBL17640810 0.77 KRAS (0.61) KRAS
SCHEMBL17640816 0.77 KRAS (0.44) JAK3KRASTRPV1
SCHEMBL26683753 0.65 DRD2 (0.47) HTR6KIT
SCHEMBL14553409 0.65 NOS1 (0.52) —
SCHEMBL31148280 0.65 NOS1 (0.52) —
SCHEMBL30125124 0.64 NOS1 (0.41) BTK
SCHEMBL17640836 0.64 KRAS (0.57) KRAS

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 8 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
EP-3197870-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS Araxes Pharma LLC (US) 2017-08-02 — — EP 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
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 3314/4885KRAS 1/4885HTR6 4832/4885
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS JAK3 3314/4885KRAS 1/4885HTR6 4832/4885

“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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