SCHEMBL17030874

SCHEMBL17030874

Fc1c(Br)c(Cl)cc2c(N3CCCCC3)nc(Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 2/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAT2A P31153 2/20 0.35
HRH3 Q9Y5N1 3/20 0.34
ABCB1 P08183 1/20 0.33
MEN1 O00255 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
FABP4 P15090 2/20 0.33

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
SCHEMBL27147161 1.00 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1ALOX15LMNAPRNP
SCHEMBL30922651 0.89 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1ALOX15LMNAPRNP
SCHEMBL25081570 0.88 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTTSHR
SCHEMBL19695842 0.87 HTR2C (0.40) MAPTHTTHRH3MEN1KMT2A
SCHEMBL19422066 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HTTHRH3KMT2A
SCHEMBL25253238 0.86 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1TSHRHRH3MEN1
SCHEMBL18133893 0.85 TLR7 (0.46) SMN1; SMN2ALDH1A1ALOX15LMNAPRNP
SCHEMBL25165073 0.85 SGK1 (0.34) SMN1; SMN2ALDH1A1LMNATSHRHTT
SCHEMBL31470355 0.84 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1MAT2A
SCHEMBL27100910 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1ALOX15LMNAPRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173017-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
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-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 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 (3 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-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS SMN1; SMN2 1953/4885ALDH1A1 3753/4885ALOX15 4880/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 2243/4885ALDH1A1 4009/4885ALOX15 4811/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 1888/4885ALDH1A1 4178/4885ALOX15 4573/4885

“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.