SCHEMBL29936759

SCHEMBL29936759

Cc1cc2[nH]nc(C#N)c2cc1OC(F)(F)Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.38
TRPA1 O75762 3/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
NTRK3 Q16288 1/20 0.33
LRRK2 Q5S007 1/20 0.32
MAPK1 P28482 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
SCHEMBL29937297 0.88 TRPA1 (0.34) NTRK1TRPA1SCN5ASCN9ALRRK2
SCHEMBL29937063 0.76 NTRK1 (0.36) NTRK1TRPA1SCN5ASCN9ALRRK2
SCHEMBL15540970 0.73 NTRK1 (0.49) NTRK1NTRK3LRRK2MAPK1
SCHEMBL29937217 0.70 MAPK1 (0.37) NTRK1NTRK3MAPK1
SCHEMBL15542269 0.68 NTRK1 (0.40) NTRK1TRPA1SCN5ASCN9ANTRK3
SCHEMBL29937465 0.65 ITK (0.51) NTRK1LRRK2MAPK1
SCHEMBL14818880 0.65 MAP2K4 (0.49) NTRK1LRRK2MAPK1
SCHEMBL15942805 0.65 ITK (0.51) NTRK1LRRK2MAPK1
SCHEMBL25547756 0.64 LRRK2 (0.33) TRPA1SCN5ASCN9ALRRK2
SCHEMBL25394366 0.63 NTRK1 (0.38) NTRK1TRPA1SCN5ASCN9ANTRK3

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
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 NTRK1 1885/4885TRPA1 4540/4885SCN5A 1884/4885

“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.