SCHEMBL17030872

SCHEMBL17030872

OBOc1cc2ncnc(N3CCCCC3)c2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.46
BACE1 P56817 7/20 0.46
PDE10A Q9Y233 1/20 0.45
PDGFRB P09619 5/20 0.44
AURKA O14965 1/20 0.44
ENPP1 P22413 2/20 0.44
PRKDC P78527 2/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDGFRA P16234 2/20 0.42
KDM1A O60341 1/20 0.42

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
SCHEMBL17030873 0.77 HTT (0.54) ACHEBACE1PDE10APDGFRBPRKDC
SCHEMBL5518977 0.75 ACHE (0.76) ACHEBACE1PDE10AAURKAENPP1
SCHEMBL4779400 0.74 ACHE (0.61) ACHEBACE1PDE10APDGFRBAURKA
SCHEMBL3873291 0.74 ACHE (0.78) ACHEBACE1PDE10AAURKAENPP1
SCHEMBL4779574 0.72 ACHE (0.63) ACHEBACE1PDE10APDGFRBAURKA
SCHEMBL25656113 0.70 PRKDC (0.52) ACHEBACE1PDE10AENPP1PRKDC
SCHEMBL15314918 0.70 PRKDC (0.52) ACHEBACE1PDE10AENPP1PRKDC
SCHEMBL25656111 0.70 ENPP1 (0.64) ACHEBACE1PDE10APDGFRBAURKA
SCHEMBL4726710 0.69 ENPP1 (0.65) ACHEBACE1PDE10APDGFRBAURKA
SCHEMBL29357509 0.69 ACHE (0.66) ACHEBACE1PDE10AAURKAENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 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 (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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ACHE 3684/4885BACE1 1090/4885PDE10A 3998/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ACHE 4285/4885BACE1 483/4885PDE10A 3299/4885

“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.