SCHEMBL17030869

SCHEMBL17030869

CN(C)CCNc1nc(N2CCCCC2)c2cc(Cl)c(Br)c(F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.40
SPIN4 Q56A73 1/20 0.40
SPIN3 Q5JUX0 1/20 0.40
SPIN2B Q9BPZ2 1/20 0.40
SPIN1 Q9Y657 1/20 0.40
KRAS P01116 2/20 0.40
NMT2 O60551 2/20 0.37
NMT1 P30419 2/20 0.37
MRGPRX1 Q96LB2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK14 Q16539 1/20 0.35
CSNK2A1 P68400 2/20 0.33
EHMT2 Q96KQ7 1/20 0.33
NPY5R Q15761 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
RPS6KA3 P51812 1/20 0.33
CSNK2A2 P19784 1/20 0.32

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
SCHEMBL19695805 0.90 KRAS (0.39) SPIN4SPIN3SPIN2BSPIN1KRAS
SCHEMBL19681378 0.87 KRAS (0.47) SPIN4SPIN3SPIN2BSPIN1KRAS
SCHEMBL16637082 0.83 KRAS (0.45) KRASNMT2NMT1EHMT2
SCHEMBL18133917 0.81 SLC29A1 (0.36) SLC29A1KRASMRGPRX1MEN1KMT2A
SCHEMBL16637080 0.79 KRAS (0.39) KRASNMT2NMT1MRGPRX1CSNK2A1
SCHEMBL17030870 0.77 KRAS (0.55) KRAS
SCHEMBL17030874 0.77 SMN1; SMN2 (0.44) MEN1KMT2A
SCHEMBL27147161 0.77 SMN1; SMN2 (0.44) MEN1KMT2A
SCHEMBL18133913 0.76 KRAS (0.48) KRASEHMT2
SCHEMBL18133893 0.73 TLR7 (0.46) KRASNPY5R

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 SLC29A1 2712/4885SPIN4 2092/4885SPIN3 1471/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SLC29A1 2856/4885SPIN4 1894/4885SPIN3 1453/4885

“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.