SCHEMBL29344205

SCHEMBL29344205

Cc1cc(Br)c2c(Cl)cccc2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
CYP2A6 P11509 3/20 0.38
AHR P35869 3/20 0.34
NR4A2 P43354 3/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
BRD1 O95696 2/20 0.33
TAF1 P21675 2/20 0.33
BRPF1 P55201 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HKDC1 Q2TB90 1/20 0.33
CFB P00751 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCL1 Q07820 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
SCHEMBL29344274 0.82 CYP1A2 (0.35) CYP1A2CYP2A6AHRNR4A2HKDC1
SCHEMBL11794559 0.76 ALDH1A1 (0.41) CYP1A2CYP2A6ALDH1A1CFBADRA2C
SCHEMBL29344083 0.75 TRPV1 (0.37) CYP1A2CYP2A6NR4A2ALDH1A1
SCHEMBL29418744 0.72 HKDC1 (0.58) CYP1A2CYP2A6AHRNR4A2ALDH1A1
SCHEMBL29344201 0.72 CYP1A2 (0.39) CYP1A2CYP2A6AHRNR4A2HKDC1
SCHEMBL23043385 0.72 HKDC1 (0.58) CYP1A2CYP2A6AHRNR4A2ALDH1A1
SCHEMBL29937238 0.72 HKDC1 (0.49) CYP1A2CYP2A6AHRNR4A2ALDH1A1
SCHEMBL31504059 0.72 ALDH1A1 (0.50) CYP1A2CYP2A6AHRALDH1A1HKDC1
SCHEMBL29936981 0.72 CYP1A2 (0.39) CYP1A2CYP2A6AHRNR4A2HKDC1
SCHEMBL29344203 0.72 HKDC1 (0.49) CYP1A2CYP2A6AHRNR4A2ALDH1A1

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 3523/4885AHR 3063/4885

“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.