SCHEMBL8205735

SCHEMBL8205735

CC(C)NC(=O)c1cccc(C(=O)NCc2cccnc2)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.61
POLB P06746 2/20 0.60
HPGD P15428 1/20 0.60
MMP13 P45452 1/20 0.57
TSHR P16473 1/20 0.56
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
GAA P10253 1/20 0.54
LMNA P02545 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 2/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
USP2 O75604 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
SCHEMBL12853298 0.83 ADRB2 (0.44) HTTPOLBHPGDMMP13TSHR
SCHEMBL8208126 0.82 SMN1; SMN2 (0.48) HTTPOLBHPGDMMP13TSHR
SCHEMBL30076951 0.81 HTT (0.69) HTTPOLBHPGDMMP13TSHR
SCHEMBL29333050 0.81 SMN1; SMN2 (0.51) HPGDMMP13KMT2ALMNAALDH1A1
SCHEMBL15347378 0.81 HTT (0.69) HTTPOLBHPGDMMP13TSHR
SCHEMBL1145580 0.81 MAPK1 (0.62) HTTPOLBMMP13TSHRKMT2A
SCHEMBL8212490 0.81 CA1 (0.46) HTTPOLBHPGDALDH1A1
SCHEMBL8205751 0.81 L3MBTL1 (0.47) HTTHPGDKMT2AGAALMNA
SCHEMBL8199939 0.80 ALDH1A1 (0.44) HPGDALDH1A1
SCHEMBL8198970 0.80 ROCK2 (0.48) HPGDMMP13KMT2AALDH1A1MEN1

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 HTT 4776/4885POLB 4488/4885HPGD 2369/4885

“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.