SCHEMBL25263446

SCHEMBL25263446

COC(=O)c1nc(C(F)(F)F)c(Br)cc1N

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFTR P13569 14/20 0.48
NOTUM Q6P988 2/20 0.42
PTPN2 P17706 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SOS1 Q07889 1/20 0.39

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
SCHEMBL30664857 1.00 CFTR (0.48) CFTRNOTUMPTPN2NPSR1SOS1
SCHEMBL31214172 0.84 NOTUM (0.43) CFTRNOTUMPTPN2NPSR1SOS1
SCHEMBL25359695 0.80 NPSR1 (0.45) CFTRNPSR1
SCHEMBL25262355 0.79 SOS1 (0.48) CFTRNOTUMPTPN2SOS1
SCHEMBL30500676 0.79 SOS1 (0.48) CFTRNOTUMPTPN2SOS1
SCHEMBL2373012 0.79 CFTR (0.70) CFTRNOTUM
SCHEMBL29699252 0.79 CFTR (0.70) CFTRNOTUM
SCHEMBL25305491 0.79 NOTUM (0.40) CFTRNOTUMPTPN2NPSR1SOS1
SCHEMBL30475035 0.79 NOTUM (0.40) CFTRNOTUMPTPN2NPSR1SOS1
SCHEMBL25305744 0.78 NPSR1 (0.44) CFTRNPSR1SOS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270206-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS NNSA 2025-08-28 US disclosed
US-20250084079-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS LEIDOS BIOMEDICAL RESEARCH, INC. 2025-03-13 US disclosed
WO-2023225252-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-11-23 WO disclosed
WO-2023225252-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-11-23 WO disclosed
WO-2023133183-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
WO-2023133183-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 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 (2 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-20250084079-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS KRAS, NRAS, HRAS CFTR 227/4885NOTUM 3861/4885PTPN2 518/4885
US-20250270206-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS KRAS, NRAS, HRAS CFTR 207/4885NOTUM 4156/4885PTPN2 559/4885

“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.