SCHEMBL29344275

SCHEMBL29344275

Nc1cc(Br)c2c(Cl)cccc2c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.41
HKDC1 Q2TB90 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
AHR P35869 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CSNK2A2 P19784 2/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A1 P68400 2/20 0.33
CHEK1 O14757 1/20 0.33
FLT3 P36888 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
GAA P10253 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
SCHEMBL29937076 1.00 NR4A2 (0.41) NR4A2HKDC1CYP1A2CYP2A6IDO1
SCHEMBL29344274 0.79 CYP1A2 (0.35) NR4A2HKDC1CYP1A2CYP2A6AHR
SCHEMBL25242361 0.79 CYP1A2 (0.35) CYP1A2CYP2A6TSHRALDH1A1CSNK2A2
SCHEMBL29418744 0.77 HKDC1 (0.58) NR4A2HKDC1CYP1A2CYP2A6AHR
SCHEMBL29937238 0.77 HKDC1 (0.49) NR4A2HKDC1CYP1A2CYP2A6AHR
SCHEMBL23043385 0.77 HKDC1 (0.58) NR4A2HKDC1CYP1A2CYP2A6AHR
SCHEMBL29344203 0.77 HKDC1 (0.49) NR4A2HKDC1CYP1A2CYP2A6AHR
SCHEMBL31178562 0.72 HKDC1 (0.45) NR4A2HKDC1CYP1A2CYP2A6AHR
SCHEMBL29345960 0.72 HKDC1 (0.45) NR4A2HKDC1CYP1A2CYP2A6TSHR
SCHEMBL25894963 0.71 HKDC1 (0.44) NR4A2HKDC1CYP1A2CYP2A6CHEK1

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 NR4A2 4556/4885HKDC1 2186/4885CYP1A2 4576/4885

“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.