SCHEMBL12853541

SCHEMBL12853541

NC(=O)Nc1cccc(C(=O)NCc2cnn(-c3cccc(C(F)(F)F)c3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDT P30046 2/20 0.50
EPHX2 P34913 1/20 0.45
NR3C2 P08235 1/20 0.44
CCR1 P32246 10/20 0.44
DHFR P00374 1/20 0.42
ADRB2 P07550 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ELANE P08246 1/20 0.40
RECQL P46063 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL12853538 0.91 DDT (0.52) DDTEPHX2CCR1ADRB2ELANE
SCHEMBL12853550 0.89 DDT (0.51) DDTEPHX2CCR1ADRB2ELANE
SCHEMBL8204104 0.89 DDT (0.54) DDTEPHX2CCR1DHFRADRB2
SCHEMBL12853540 0.89 DDT (0.50) DDTEPHX2CCR1ADRB2MEN1
SCHEMBL3116577 0.87 DDT (0.49) DDTEPHX2CCR1ADRB2ELANE
SCHEMBL8212310 0.87 DDT (0.53) DDTEPHX2CCR1DHFRADRB2
SCHEMBL8208208 0.85 DDT (0.53) DDTEPHX2CCR1DHFRADRB2
SCHEMBL12853297 0.83 DDT (0.53) DDTEPHX2CCR1ADRB2MEN1
SCHEMBL13246860 0.81 DDT (0.50) DDTEPHX2CCR1DHFRADRB2
SCHEMBL12853528 0.81 DDT (0.49) DDTEPHX2CCR1ADRB2MEN1

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 5 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

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 DDT 4423/4885EPHX2 2332/4885NR3C2 518/4885

“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.