SCHEMBL8206437

SCHEMBL8206437

Cc1nc2ccc(-n3cc(CNC(=O)c4cccc(C(=O)NC(C)C)n4)cn3)cc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
MIF P14174 1/20 0.36
KLKB1 P03952 2/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
KCNJ1 P48048 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
KLK1 P06870 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MCHR1 Q99705 1/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
ACSS2 Q9NR19 1/20 0.34
BMPR2 Q13873 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ELANE P08246 1/20 0.33

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
SCHEMBL17012020 0.91 ADRB2 (0.40) ADRB2MIFKLKB1MAPK1POLB
SCHEMBL12853419 0.91 ADRB2 (0.39) ADRB2MIFKLKB1POLBKCNJ1
SCHEMBL8198824 0.91 ADRB2 (0.41) ADRB2MIFKLKB1MAPK1POLB
SCHEMBL12853417 0.88 ADRB2 (0.39) ADRB2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL8201002 0.87 CYP11B1 (0.42) ADRB2ALDH1A1BMPR2MEN1KMT2A
SCHEMBL8211564 0.86 ADRB2 (0.41) ADRB2MIFKLKB1MAPK1POLB
SCHEMBL8209007 0.85 MEN1 (0.41) ALDH1A1KDM4EMAPTACSS2BMPR2
SCHEMBL8201394 0.84 ADRB2 (0.46) ADRB2MIFKLKB1POLBKLK1
SCHEMBL8205940 0.84 ADRB2 (0.43) ADRB2MIFKLKB1MAPK1POLB
SCHEMBL8209034 0.84 ADRB2 (0.47) ADRB2MIFKLKB1POLBKLK1

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 3238/4885MIF 1533/4885KLKB1 1959/4885

“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.