SCHEMBL8205629

SCHEMBL8205629

Cc1ccc(-n2cc(CNC(=O)c3cccc(C(=O)NC(C)C)n3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
ADRB2 P07550 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL12853254 0.92 HPGD (0.44) ADRB2MEN1KMT2AALDH1A1NPC1
SCHEMBL8210996 0.91 DHODH (0.44) ADRB2NPSR1KLKB1KLK1SMN1; SMN2
SCHEMBL8201431 0.91 KLKB1 (0.50) ADRB2ALDH1A1KLKB1KLK1HPGD
SCHEMBL8209034 0.90 ADRB2 (0.47) ADRB2ALDH1A1NPSR1KLKB1KLK1
SCHEMBL12853327 0.90 ROCK2 (0.47) ADRB2ALDH1A1KLKB1KLK1SMN1; SMN2
SCHEMBL8209278 0.88 MAPK8 (0.46) ADRB2
SCHEMBL12853293 0.88 KCNJ1 (0.43) ADRB2MEN1KMT2AKLKB1KLK1
SCHEMBL8209302 0.88 ADRB2 (0.41) ADRB2ALDH1A1RAB9ANPSR1KLKB1
SCHEMBL8206513 0.87 CA2 (0.54) KMT2ATSHR
SCHEMBL8213788 0.87 ADRB2 (0.39) ADRB2KMT2AALDH1A1RAB9ANPSR1

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 CNR1 1049/4885ADRB2 3238/4885MEN1 3562/4885

“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.