SCHEMBL20114486

SCHEMBL20114486

NCCC1CN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.46
CYP1A2 P05177 5/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 4/20 0.42
CYP2C19 P33261 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
LMNA P02545 2/20 0.42
ENPP1 P22413 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
KIT P10721 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 2/20 0.36
SSTR2 P30874 1/20 0.36

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
SCHEMBL16637456 0.91 PDE10A (0.47) PDE10ACYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL16647257 0.89 PDE10A (0.48) PDE10ACYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL16647132 0.89 PDE10A (0.48) PDE10ACYP1A2CYP2D6CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL16637062 0.89 PDE10A (0.47) PDE10ACYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL16636912 0.86 PDE10A (0.44) PDE10ACYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL16637229 0.86 PDE10A (0.47) PDE10ACYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL19304137 0.82 PDE10A (0.48) PDE10ACYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL16647058 0.82 PDE10A (0.48) PDE10ACYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL16636831 0.81 PDE10A (0.46) PDE10ACYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL16647244 0.81 PDE10A (0.46) PDE10ACYP1A2CYP2D6CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 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 PDE10A 3998/4885CYP1A2 1845/4885CYP2D6 1911/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS PDE10A 3944/4885CYP1A2 1511/4885CYP2D6 1699/4885

“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.