SCHEMBL12853550

SCHEMBL12853550

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDT P30046 2/20 0.51
▸ CCR1 P32246 10/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ RIPK1 Q13546 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
SCHEMBL3116577 0.92 DDT (0.49) DDTCCR1EPHX2ADRB2RECQL
SCHEMBL12853538 0.91 DDT (0.52) DDTCCR1EPHX2ADRB2ELANE
SCHEMBL12853541 0.89 DDT (0.50) DDTCCR1EPHX2ADRB2RECQL
SCHEMBL8204104 0.89 DDT (0.54) DDTCCR1EPHX2ADRB2RECQL
SCHEMBL12853540 0.89 DDT (0.50) DDTCCR1EPHX2ADRB2ELANE
SCHEMBL12853297 0.85 DDT (0.53) DDTCCR1EPHX2ADRB2RECQL
SCHEMBL8208208 0.83 DDT (0.53) DDTCCR1EPHX2ADRB2ELANE
SCHEMBL8212310 0.83 DDT (0.53) DDTCCR1EPHX2ADRB2RECQL
SCHEMBL13246860 0.82 DDT (0.50) DDTCCR1EPHX2ADRB2ELANE
SCHEMBL8213673 0.81 DDT (0.51) DDTCCR1EPHX2ADRB2RECQL

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 4423/4885CCR1 251/4885EPHX2 2332/4885

“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.

Send feedback