SCHEMBL18136226

SCHEMBL18136226

CN1CC(c2ncccc2F)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.38
PDE10A Q9Y233 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MPI P34949 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR6 P50406 1/20 0.35
HTR1A P08908 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL13229250 0.83 SSTR4 (0.43) HTR6HTR1AHTR2ASSTR4
SCHEMBL18133856 0.81 PDE10A (0.37) PDE10AKDM4EMPIL3MBTL1ADRA1A
SCHEMBL23853811 0.79 HTR1A (0.40) KDM4EMPIL3MBTL1HTR1ASLC6A2
SCHEMBL7701595 0.79 OPRM1 (0.46) KAT2BPDE10A
SCHEMBL15808187 0.76 CHRM4 (0.44) PDE10AADRA1AHTR1ACHRM2SLC6A2
SCHEMBL2563345 0.76 HTR1A (0.38) KDM4EMPIL3MBTL1HTR1ATSHR
SCHEMBL31438527 0.74 KDM4E (0.34) KDM4EMPIL3MBTL1ADRA1AADRA1D
SCHEMBL25190850 0.74 KDM4E (0.34) KDM4EMPIL3MBTL1ADRA1AADRA1D
SCHEMBL29139742 0.73 RIPK1 (0.38) KDM4EMPIL3MBTL1HTR1ASLC6A2
SCHEMBL22778029 0.73 KDM4E (0.37) KDM4EMPIL3MBTL1HTR1ACYP1A2

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-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 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-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KAT2B 3460/4885PDE10A 2552/4885KDM4E 3345/4885

“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.