SCHEMBL5444646

SCHEMBL5444646

O=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1nnc(Cc2ccncc2)s1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BLM P54132 11/20 0.74
WRN Q14191 3/20 0.74
ABL1 P00519 1/20 0.53
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PSMD14 O00487 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
MCL1 Q07820 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL29602870 0.85 BLM (1.00) BLMWRNKMT2AMEN1MAPT
SCHEMBL20659647 0.85 BLM (1.00) BLMWRNKMT2AMEN1MAPT
SCHEMBL5446510 0.83 KMT2A (0.75) BLMWRNKMT2AMEN1L3MBTL1
SCHEMBL5446263 0.82 MAPT (0.63) BLMWRNABL1KMT2AMEN1
SCHEMBL5439929 0.82 MEN1 (0.59) BLMWRNABL1KMT2AMEN1
SCHEMBL5454402 0.80 BLM (0.71) BLMWRN
SCHEMBL5448580 0.79 HTT (0.72) BLMWRNABL1KMT2AMEN1
SCHEMBL5438358 0.78 ABL1 (0.56) ABL1KMT2AMEN1MAPTLMNA
SCHEMBL5446202 0.77 MAPT (0.59) BLMWRNKMT2AMEN1MAPT
SCHEMBL5445001 0.77 BLM (0.61) BLMWRNABL1KMT2AMEN1

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-20070191353-A1 Use of thiadiazoleurea derivatives MERCK PATENT GMBH (DE) 2007-08-16 US claimed
US-20070191353-A1 Use of thiadiazoleurea derivatives MERCK PATENT GMBH (DE) 2007-08-16 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-20070191353-A1 Use of thiadiazoleurea derivatives RAF1, ARAF, JAK1 BLM 4089/4885WRN 3961/4885ABL1 631/4885

“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.