SCHEMBL8209151

SCHEMBL8209151

CNc1cc(Br)ccc1NC(=O)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.70
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC1 Q13547 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ABCB1 P08183 1/20 0.52
HDAC6 Q9UBN7 1/20 0.51
LMNA P02545 1/20 0.51
HIF1A Q16665 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
SCHEMBL336750 0.83 MAPT (0.68) MAPTPOLBALDH1A1HTTKMT2A
SCHEMBL28820749 0.83 HDAC1 (0.69) GAAMAPTHDAC1HDAC3HDAC2
SCHEMBL17801696 0.83 GAA (1.00) GAAMAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL30908436 0.81 GAA (0.66) GAAMAPTPOLBTSHRSMN1; SMN2
SCHEMBL28816946 0.77 MAPT (0.68) MAPTPOLBALDH1A1HTTKMT2A
SCHEMBL17544393 0.76 GAA (0.60) GAAMAPTTSHRSMN1; SMN2HTT
SCHEMBL27588670 0.76 HDAC1 (0.63) GAAMAPTHTTL3MBTL1NPC1
SCHEMBL10131874 0.76 ROCK2 (0.73) GAAMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL5756595 0.75 GAA (0.55) GAAMAPTPOLBALDH1A1HTT
SCHEMBL27893672 0.75 KCNK3 (0.74) MAPTTSHRSMN1; SMN2ALDH1A1HTT

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
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 GAA 3269/4885MAPT 3158/4885POLB 4488/4885

“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.