SCHEMBL29344239

SCHEMBL29344239

Nc1nc2c(Br)c(F)cc(F)c2o1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.33
PIM1 P11309 1/20 0.31
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 0.30
RPS6KA2 Q15349 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
SCHEMBL29937218 1.00 NUDT1 (0.33) NUDT1PIM1ESR1ESR2RPS6KA2
SCHEMBL18614436 0.80 PIK3CA (0.33) NUDT1
SCHEMBL29344237 0.78 ESR1 (0.30) ESR1ESR2
SCHEMBL25547745 0.78 NUDT1 (0.41) NUDT1RPS6KA2
SCHEMBL24785873 0.74 NUDT1 (0.34) NUDT1RPS6KA2
SCHEMBL29301859 0.74 NUDT1 (0.34) NUDT1RPS6KA2
SCHEMBL18614398 0.70 NUDT1 (0.44) NUDT1ESR1ESR2RPS6KA2
SCHEMBL29297683 0.67 NUDT1 (0.34) NUDT1RPS6KA2
SCHEMBL25914949 0.67 NUDT1 (0.34) NUDT1RPS6KA2
SCHEMBL288526 0.67 NUDT1 (0.41) NUDT1RPS6KA2

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-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 NUDT1 1534/4885PIM1 1261/4885ESR1 2203/4885

“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.