SCHEMBL5446263

SCHEMBL5446263

O=C(Nc1cccc(C(F)(F)F)c1)Nc1nnc(Cc2ccncc2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
HTT P42858 4/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 2/20 0.63
PAX8 Q06710 2/20 0.63
MITF O75030 1/20 0.63
XBP1 P17861 1/20 0.63
NOD2 Q9HC29 1/20 0.63
ABL1 P00519 2/20 0.60
GAA P10253 3/20 0.55
KDR P35968 2/20 0.54
BRAF P15056 1/20 0.54
MAPK14 Q16539 1/20 0.54
TNNI3K Q59H18 1/20 0.54
RAB9A P51151 1/20 0.51
NCOA1 Q15788 2/20 0.51
NCOA3 Q9Y6Q9 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL5438358 0.85 ABL1 (0.56) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5448580 0.84 HTT (0.72) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5439899 0.84 MAPT (0.61) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL7429049 0.83 NTRK1 (0.62) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5447870 0.82 KMT2A (0.70) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5442589 0.82 KMT2A (0.62) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5439929 0.82 MEN1 (0.59) MAPTMEN1KMT2AABL1KDR
SCHEMBL5444646 0.82 BLM (0.74) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL3174300 0.82 KDR (0.70) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL3467776 0.81 MEN1 (0.56) MAPTHTTMEN1KMT2ASMN1; SMN2

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 1 patent. 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 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 MAPT 3983/4885HTT 3825/4885MEN1 1756/4885

“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.