SCHEMBL25372579

SCHEMBL25372579

C/C=C\c1c(C)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ATR Q13535 9/20 0.34
▸ PDE1A P54750 2/20 0.32
▸ PDE1B Q01064 2/20 0.32
▸ PDE1C Q14123 2/20 0.32
▸ RET P07949 2/20 0.32
▸ PDE9A O76083 1/20 0.30
▸ DGAT2 Q96PD7 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL25372582 1.00 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30542395 1.00 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29344298 0.89 CYP4F2 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30542408 0.88 RXRA (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25373206 0.88 RXRA (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25373201 0.88 RXRA (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29344300 0.88 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21195793 0.85 CYP4F2 (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL19948345 0.83 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922384 0.83 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG

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-20250179077-A1 QUINAZOLINE COMPOUNDS AND USES THEREOF AS INHIBITORS OF MUTANT KRAS PROTEINS AMGEN INC. (US) 2025-06-05 — — US disclosed
WO-2023159087-A1 QUINAZOLINE COMPOUNDS AND USE THEREOF AS INHIBTORS OF MUTANT KRAS PROTEINS AMGEN INC. (US) 2023-08-24 — — WO 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-20250179077-A1 QUINAZOLINE COMPOUNDS AND USES THEREOF AS INHIBITORS OF MUTANT KRAS PROTEINS KRAS, NRAS, HRAS CYP4F2 3102/4885CYP4A11 2889/4885RXRA 2772/4885

“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.

Send feedback