SCHEMBL31459863

SCHEMBL31459863

c1ccc(CN2C[C@H]3CC[C@@H](C2)C32OCCO2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.47
SIGMAR1 Q99720 3/20 0.46
ACHE P22303 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CCR3 P51677 1/20 0.42
DRD4 P21917 1/20 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
SCHEMBL5534419 1.00 FUCA1 (0.47) FUCA1SIGMAR1ACHECYP1A2CYP3A4
SCHEMBL20401188 0.94 FUCA1 (0.45) FUCA1SIGMAR1ACHECYP1A2CYP3A4
SCHEMBL20417935 0.80 SIGMAR1 (0.37) SIGMAR1ACHE
SCHEMBL6973456 0.79 SIGMAR1 (0.47) SIGMAR1ACHEDRD4
SCHEMBL31346974 0.78 SIGMAR1 (0.53) FUCA1SIGMAR1ACHECYP1A2CYP3A4
SCHEMBL30655487 0.78 FUCA1 (0.51) FUCA1SIGMAR1ACHECYP1A2CYP3A4
SCHEMBL21220352 0.78 CHRNB2 (0.51) ALDH1A1
SCHEMBL24767528 0.75 FUCA1 (0.53) FUCA1SIGMAR1ACHEALDH1A1
SCHEMBL21737899 0.75 FUCA1 (0.53) FUCA1SIGMAR1ACHEALDH1A1
SCHEMBL12078355 0.75 FUCA1 (0.49) FUCA1SIGMAR1ACHECYP1A2CYP3A4

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-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-01-15 US disclosed
CN-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN 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-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS FUCA1 4786/4885SIGMAR1 2172/4885ACHE 4842/4885

“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.