SCHEMBL20109701

SCHEMBL20109701

Cc1nc(N2CCN(Br)CC2)c2cc(Br)c(Cl)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KRAS P01116 1/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPY5R Q15761 2/20 0.36
HTR6 P50406 1/20 0.34
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NTSR1 P30989 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
SCHEMBL16637220 0.84 KRAS (0.44) HRH4MEN1KMT2ASMN1; SMN2KRAS
SCHEMBL22631299 0.80 NPY5R (0.44) HRH4MEN1KMT2AHSD17B10NPY5R
SCHEMBL22631427 0.79 KRAS (0.46) MEN1KMT2ASMN1; SMN2KRASNPY5R
SCHEMBL16637591 0.78 TLR9 (0.50) MEN1KMT2AKRAS
SCHEMBL16637903 0.78 KRAS (0.36) HRH4MEN1KMT2ASMN1; SMN2KRAS
SCHEMBL22028936 0.74 TLR9 (0.50) MEN1KMT2AKRAS
SCHEMBL30826956 0.74 TLR9 (0.50) MEN1KMT2AKRAS
SCHEMBL16636864 0.73 CSNK2A1 (0.37) HRH4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16637083 0.72 EIF2AK4 (0.39) KRASL3MBTL1ALDH1A1
SCHEMBL16636985 0.72 NR1H2 (0.47) MEN1KMT2AKRASL3MBTL1ALDH1A1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HRH4 1070/4885MEN1 188/4885KMT2A 736/4885

“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.