SCHEMBL29344227

SCHEMBL29344227

Cc1cc(Br)nc(N=C(c2ccccc2)c2ccccc2)c1OC(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 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
SCHEMBL29344228 0.80 NPFFR1 (0.35) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL29937044 0.80 NPFFR1 (0.35) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL26695089 0.75 ALDH1A1 (0.33) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL2431587 0.70 MEN1 (0.35)
SCHEMBL29344229 0.70 MEN1 (0.35)
SCHEMBL5501663 0.61 ESR1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL31517830 0.61 MEN1 (0.32)
SCHEMBL31517894 0.61 HTT (0.46) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL18703966 0.61 RECQL (0.50) ALDH1A1LMNASMN1; SMN2MAPTTSHR
SCHEMBL3358604 0.61 MEN1 (0.42) ALDH1A1

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 4 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
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO 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 ALDH1A1 2871/4885LMNA 4027/4885HTT 2710/4885

“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.