SCHEMBL8201496

SCHEMBL8201496

CC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3ccc4ncccc4c3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
HDAC1 Q13547 2/20 0.43
CLK1 P49759 3/20 0.41
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ACACB O00763 2/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
PDPK1 O15530 1/20 0.37
WDR5 P61964 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL8205940 0.91 ADRB2 (0.43) ADRB2ALDH1A1KDM4ERAB9AMAPK1
SCHEMBL8198572 0.89 ALDH1A1 (0.42) ADRB2HDAC1ALDH1A1KDM4ERAB9A
SCHEMBL8205818 0.88 ADRB2 (0.42) ADRB2CLK1CLK2DYRK1ACLK4
SCHEMBL8201394 0.88 ADRB2 (0.46) ADRB2ALDH1A1KDM4E
SCHEMBL8211564 0.84 ADRB2 (0.41) ADRB2ALDH1A1KDM4ERAB9AMAPK1
SCHEMBL8209139 0.84 KLKB1 (0.40) ADRB2HDAC1ALDH1A1KDM4ERAB9A
SCHEMBL8206372 0.83 ADRB2 (0.42) ADRB2ALDH1A1KDM4ERAB9ASUCNR1
SCHEMBL8210993 0.83 ADRB2 (0.46) ADRB2HDAC1ALDH1A1KDM4ENPC1
SCHEMBL8209034 0.83 ADRB2 (0.47) ADRB2ALDH1A1KDM4ELMNAMAPT
SCHEMBL12853298 0.83 ADRB2 (0.44) ADRB2ALDH1A1HTT

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 3238/4885HDAC1 469/4885CLK1 675/4885

“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.