SCHEMBL8201394

SCHEMBL8201394

Cc1ccc2cc(-n3cc(CNC(=O)c4cccc(C(=O)NC(C)C)n4)cn3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
KLKB1 P03952 14/20 0.40
KLK1 P06870 7/20 0.39
MIF P14174 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOD2 Q9HC29 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8201496 0.88 ADRB2 (0.44) ADRB2KDM4EALDH1A1
SCHEMBL8205940 0.85 ADRB2 (0.43) ADRB2KLKB1KLK1MIFPOLB
SCHEMBL8209034 0.85 ADRB2 (0.47) ADRB2KLKB1KLK1MIFPOLB
SCHEMBL8205629 0.85 CNR1 (0.43) ADRB2KLKB1KLK1MIFMEN1
SCHEMBL8206437 0.84 ADRB2 (0.41) ADRB2KLKB1KLK1MIFMEN1
SCHEMBL8198572 0.84 ALDH1A1 (0.42) ADRB2KLKB1KLK1MEN1KMT2A
SCHEMBL8198824 0.83 ADRB2 (0.41) ADRB2KLKB1KLK1MIFMEN1
SCHEMBL8206372 0.83 ADRB2 (0.42) ADRB2KLKB1KLK1MIFMEN1
SCHEMBL8210993 0.83 ADRB2 (0.46) ADRB2KLKB1KLK1MAPK8MAPK9
SCHEMBL12853254 0.83 HPGD (0.44) ADRB2KLKB1KLK1MEN1KMT2A

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 ADRB2 3238/4885KLKB1 1959/4885KLK1 2703/4885

“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.