SCHEMBL17030873

SCHEMBL17030873

Clc1cc2c(N3CCCCC3)ncnc2cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.54
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
LMNA P02545 2/20 0.54
PRNP P04156 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
PPARG P37231 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
PRKDC P78527 2/20 0.48
PDGFRB P09619 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
TP53 P04637 2/20 0.43
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
JAK3 P52333 1/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL19695833 0.86 HTT (0.63) HTTMAPTLMNATSHRPDGFRB
SCHEMBL30063925 0.82 HTT (0.46) HTTNPSR1LMNATSHRPDGFRB
SCHEMBL21839989 0.81 PDGFRB (0.49) PDGFRBACHEBACE1
SCHEMBL30333325 0.80 HTT (0.63) HTTMAPTLMNATSHRPDGFRB
SCHEMBL17031445 0.80 HTT (0.63) HTTMAPTLMNATSHRPDGFRB
SCHEMBL17030838 0.79 ACHE (0.61) PDGFRBACHEBACE1PDE10A
SCHEMBL17030872 0.77 ACHE (0.46) PRKDCPDGFRBACHEBACE1ALDH1A1
SCHEMBL16637875 0.76 PDGFRB (0.49) PDGFRBACHEBACE1
SCHEMBL3115181 0.76 HTT (0.74) HTTMAPTNPSR1LMNAPRNP
SCHEMBL17030848 0.75 MAPT (0.59) HTTMAPTNPSR1LMNAPRNP

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 HTT 2370/4885MAPT 761/4885NPSR1 4618/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HTT 2353/4885MAPT 279/4885NPSR1 4528/4885

“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.