SCHEMBL4000893

SCHEMBL4000893

O=C(O)c1sc2ccncc2c1Nc1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAP2K1 Q02750 10/20 0.43
DYRK1A Q13627 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
CLK1 P49759 1/20 0.36

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
SCHEMBL4003188 0.91 GAA (0.44) GAAMAP2K1HDAC3HDAC1HDAC6
SCHEMBL3999168 0.87 MAP2K1 (0.49) MAP2K1
SCHEMBL1216151 0.86 MAP2K1 (0.44) GAAMAP2K1DYRK1ANPC1ALDH1A1
SCHEMBL1215968 0.84 MAP2K1 (0.38) GAAMAP2K1ALDH1A1
SCHEMBL1217020 0.80 MAP2K1 (0.56) MAP2K1
SCHEMBL3997430 0.78 MAP2K1 (0.48) MAP2K1
SCHEMBL1216500 0.77 MAP2K1 (0.44) GAAMAP2K1DYRK1AALDH1A1SMN1; SMN2
SCHEMBL12895503 0.77 MAP2K1 (0.41) GAAMAP2K1
SCHEMBL12883214 0.77 MAP2K1 (0.51) MAP2K1
SCHEMBL2563035 0.76 MAP2K1 (0.56) GAAMAP2K1NPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069359-B1 AZA-BENZOTHIOPHENYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-11-12 EP disclosed
EP-2069359-A1 AZA-BENZOTHIOPHENYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-06-17 EP disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US disclosed
WO-2008024724-A1 AZA-BENZOTHIOPHENYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 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-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 GAA 1805/4885MAP2K1 38/4885DYRK1A 2199/4885

“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.