SCHEMBL20315166

SCHEMBL20315166

Clc1cnc2c(N3CCCCC3)nnc(Cl)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 2/20 0.42
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CNR2 P34972 2/20 0.39
MAT2A P31153 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAP2K7 O14733 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA2D2 Q9NY47 1/20 0.36
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CHKA P35790 1/20 0.35
LMNA P02545 1/20 0.35
PRNP P04156 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
SCHEMBL20296461 0.81 HRH4 (0.38) MEN1GFERKMT2AHPGDHRH4
SCHEMBL20296597 0.74 POLB (0.44) MEN1KMT2ACNR2SMN1; SMN2MAPT
SCHEMBL20296457 0.74 IDO1 (0.37) KMT2AHRH4HRH3SMN1; SMN2ALDH1A1
SCHEMBL30533436 0.74 IDO1 (0.37) KMT2AHRH4HRH3SMN1; SMN2ALDH1A1
SCHEMBL20315164 0.74 KRAS (0.40) MEN1GFERKMT2AHPGDHRH4
SCHEMBL20315169 0.72 MEN1 (0.67) MEN1GFERKMT2AHPGDMAT2A
SCHEMBL2210096 0.70 MEN1 (1.00) MEN1GFERKMT2AHPGDSMN1; SMN2
SCHEMBL22587541 0.69 ALDH1A1 (0.49) MEN1GFERKMT2AHRH4CNR2
SCHEMBL25308743 0.68 IDO1 (0.33) HPGDHRH4HRH3HTT
SCHEMBL30287101 0.68 IDO1 (0.33) HPGDHRH4HRH3HTT

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-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MEN1 296/4885GFER 2500/4885KMT2A 2069/4885

“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.