SCHEMBL17030865

SCHEMBL17030865

Cc1cc2c(N3CCCCC3)ncnc2c(F)c1-c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
MAPT P10636 6/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
PRNP P04156 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
PPARG P37231 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
TP53 P04637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
S1PR2 O95136 1/20 0.41
STAT6 P42226 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL19695836 0.90 ALDH1A1 (0.43) CHRM4MAPTHTTLMNANPSR1
SCHEMBL19695837 0.87 KRAS (0.45) MAPTHTTLMNAKDM4ESMN1; SMN2
SCHEMBL17030864 0.86 LMNA (0.52) CHRM4MAPTHTTLMNANPSR1
SCHEMBL16636888 0.84 KRAS (0.58) MAPTHTTLMNAKDM4ESMN1; SMN2
SCHEMBL29766036 0.84 KRAS (0.58) MAPTHTTLMNAKDM4ESMN1; SMN2
SCHEMBL16637179 0.82 KIT (0.47) MAPTHTTLMNATP53KDM4E
SCHEMBL16637178 0.78 LIMK2 (0.38) CHRM4MAPTHTTLMNATP53
SCHEMBL19695777 0.77 HTT (0.45) MAPTHTTLMNANPSR1PRNP
SCHEMBL29765668 0.74 KRAS (0.61)
SCHEMBL16636983 0.74 KRAS (0.61)

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 CHRM4 2427/4885MAPT 761/4885HTT 2370/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CHRM4 3143/4885MAPT 279/4885HTT 2353/4885

“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.