SCHEMBL29344201

SCHEMBL29344201

Clc1cc(Br)c2c(Cl)cccc2c1I

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 3/20 0.39
HKDC1 Q2TB90 1/20 0.33
AHR P35869 3/20 0.33
NR4A2 P43354 1/20 0.32
CHEK1 O14757 1/20 0.32
FLT3 P36888 1/20 0.32
PLK3 Q9H4B4 1/20 0.32

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
SCHEMBL29936981 1.00 CYP1A2 (0.39) CYP1A2CYP2A6HKDC1AHRNR4A2
SCHEMBL29344203 0.77 HKDC1 (0.49) CYP1A2CYP2A6HKDC1AHRNR4A2
SCHEMBL29937238 0.77 HKDC1 (0.49) CYP1A2CYP2A6HKDC1AHRNR4A2
SCHEMBL31178562 0.77 HKDC1 (0.45) CYP1A2CYP2A6HKDC1AHRNR4A2
SCHEMBL23043385 0.73 HKDC1 (0.58) CYP1A2CYP2A6HKDC1AHRNR4A2
SCHEMBL31504059 0.73 ALDH1A1 (0.50) CYP1A2CYP2A6HKDC1AHR
SCHEMBL29418744 0.73 HKDC1 (0.58) CYP1A2CYP2A6HKDC1AHRNR4A2
SCHEMBL29344205 0.72 CYP1A2 (0.38) CYP1A2CYP2A6HKDC1AHRNR4A2
SCHEMBL20788048 0.69 CYP1A2 (0.44) CYP1A2CYP2A6AHRNR4A2
SCHEMBL25242361 0.69 CYP1A2 (0.35) CYP1A2CYP2A6

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 3 patents. 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
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
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 3523/4885HKDC1 2186/4885

“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.