SCHEMBL5436652

SCHEMBL5436652

O=C(Nc1cccc(C(F)(F)F)c1)Nc1nnc(Oc2ccncc2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.69
KDR P35968 6/20 0.69
MAPK14 Q16539 5/20 0.69
TNNI3K Q59H18 5/20 0.69
RAF1 P04049 2/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
MITF O75030 1/20 0.53
LMNA P02545 1/20 0.53
XBP1 P17861 1/20 0.53
PAX8 Q06710 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NOD2 Q9HC29 1/20 0.53
GAA P10253 2/20 0.52
RAB9A P51151 1/20 0.51
DYRK1A Q13627 1/20 0.51
PLK4 O00444 1/20 0.51
AURKA O14965 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
SCHEMBL5446099 0.90 KDR (0.55) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL5437217 0.84 LMNA (0.69) RAF1MAPTMEN1HTTKMT2A
SCHEMBL5444618 0.83 RAF1 (0.54) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL5456041 0.82 BRAF (0.49) BRAFKDRMAPK14TNNI3K
SCHEMBL5454402 0.82 BLM (0.71) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL3177619 0.82 KDR (1.00) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL5446263 0.79 MAPT (0.63) BRAFKDRMAPK14TNNI3KMAPT
SCHEMBL3171719 0.79 KDR (0.76) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL11865005 0.79 MAPT (0.63) KDRMAPTMEN1HTTKMT2A
SCHEMBL5444864 0.78 KDM4E (0.47) BRAFKDRMAPK14TNNI3KRAF1

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 BRAF 4/4885KDR 2178/4885MAPK14 84/4885

“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.