SCHEMBL29344274

SCHEMBL29344274

Cc1cc(Br)c2c(Cl)cccc2c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
CYP2A6 P11509 3/20 0.35
NR4A2 P43354 1/20 0.33
PARP1 P09874 1/20 0.32
PTGES O14684 2/20 0.32
TYMS P04818 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
NOTUM Q6P988 1/20 0.31
AHR P35869 1/20 0.30
EPAS1 Q99814 1/20 0.30
ELANE P08246 2/20 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
SCHEMBL29344205 0.82 CYP1A2 (0.38) CYP1A2CYP2A6NR4A2HKDC1AHR
SCHEMBL29937076 0.79 NR4A2 (0.41) CYP1A2CYP2A6NR4A2PTGESHKDC1
SCHEMBL25242361 0.79 CYP1A2 (0.35) CYP1A2CYP2A6PTGES
SCHEMBL29344275 0.79 NR4A2 (0.41) CYP1A2CYP2A6NR4A2PTGESHKDC1
SCHEMBL25248411 0.73 EGFR (0.32)
SCHEMBL25547707 0.72 LMNA (0.39) CYP1A2CYP2A6NR4A2NOTUM
SCHEMBL29344083 0.72 TRPV1 (0.37) CYP1A2CYP2A6NR4A2
SCHEMBL29937154 0.71 CYP1A2 (0.41) CYP1A2CYP2A6NR4A2PTGESHKDC1
SCHEMBL23043385 0.69 HKDC1 (0.58) CYP1A2CYP2A6NR4A2HKDC1AHR
SCHEMBL31504059 0.69 ALDH1A1 (0.50) CYP1A2CYP2A6PTGESHKDC1AHR

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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS CYP1A2 4576/4885CYP2A6 3523/4885NR4A2 4556/4885

“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.