SCHEMBL17030840

SCHEMBL17030840

Fc1c(Br)c(Cl)cc2c(N3CCCCC3)ncnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
NPSR1 Q6W5P4 4/20 0.57
HTT P42858 4/20 0.57
TSHR P16473 3/20 0.57
LMNA P02545 3/20 0.57
PRNP P04156 1/20 0.57
ALOX15 P16050 1/20 0.57
PPARG P37231 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NR2E3 Q9Y5X4 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
JAK2 O60674 1/20 0.42
KRAS P01116 4/20 0.41
EGFR P00533 1/20 0.41
HMOX2 P30519 1/20 0.41
CRYZ Q08257 1/20 0.41
VAT1 Q99536 1/20 0.41
RTN4 Q9NQC3 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 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
SCHEMBL19695793 0.87 HTT (0.49) MAPTNPSR1HTTTSHRLMNA
SCHEMBL17030848 0.86 MAPT (0.59) MAPTNPSR1HTTTSHRLMNA
SCHEMBL22973128 0.84 KRAS (0.41) MAPTNPSR1HTTTSHRLMNA
SCHEMBL16637106 0.83 KRAS (0.51) MAPTNPSR1HTTTSHRLMNA
SCHEMBL17030874 0.81 SMN1; SMN2 (0.44) MAPTNPSR1HTTTSHRLMNA
SCHEMBL27147161 0.81 SMN1; SMN2 (0.44) MAPTNPSR1HTTTSHRLMNA
SCHEMBL16636828 0.80 KRAS (0.66) KRASEGFRHMOX2CRYZVAT1
SCHEMBL30600136 0.77 MAPT (0.48) MAPTNPSR1HTTTSHRLMNA
SCHEMBL18133893 0.77 TLR7 (0.46) MAPTNPSR1HTTTSHRLMNA
SCHEMBL16636962 0.77 KIT (0.50) MAPTHTTLMNAKRASEGFR

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