SCHEMBL8206930

SCHEMBL8206930

Cc1cccc(-c2ccc(CNC(=O)c3cccc(C(=O)NC(C)C)n3)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.46
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
CTSA P10619 1/20 0.45
CNR1 P21554 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HDAC1 Q13547 1/20 0.41
HPGDS O60760 1/20 0.41
WDR5 P61964 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
NAMPT P43490 1/20 0.40
HPGD P15428 2/20 0.40
GABRA5 P31644 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL8198357 0.90 CNR1 (0.52) ADORA2AADORA1CTSACNR1ALDH1A1
SCHEMBL8209069 0.89 CNR2 (0.47) ADORA2AADORA1CTSACNR1
SCHEMBL8198360 0.89 ECE1 (0.46) ADORA2AADORA1HPGDSWDR5MAPK8
SCHEMBL8199927 0.89 CNR2 (0.50) ADORA2AADORA1CNR1HPGDSGABRA5
SCHEMBL12853345 0.86 CTSA (0.47) ADORA2AADORA1CTSAMAPK8MAPK9
SCHEMBL12853352 0.86 CNR2 (0.52) MMP13CTSACNR1
SCHEMBL8205721 0.86 MAPK8 (0.47) MMP13ALDH1A1MAPK8MAPK9
SCHEMBL8212427 0.86 SMN1; SMN2 (0.41) CNR1HPGDSMAPK8MAPK9SMN1; SMN2
SCHEMBL8205711 0.84 SMN1; SMN2 (0.44) CTSACNR1ALDH1A1KDM4ELMNA
SCHEMBL8205692 0.84 MAPK8 (0.47) CNR1ALDH1A1HPGDSMAPK8MAPK9

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 MMP13 2969/4885ADORA2A 4718/4885ADORA1 4593/4885

“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.