SCHEMBL8212490

SCHEMBL8212490

CC(C)NC(=O)c1cccc(C(=O)NCc2ccc(N)nc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MASP2 O00187 3/20 0.45
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HDAC1 Q13547 2/20 0.42
NAMPT P43490 2/20 0.42
POLB P06746 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
HTT P42858 1/20 0.41
CPB2 Q96IY4 1/20 0.41
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 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
SCHEMBL8205751 0.86 L3MBTL1 (0.47) CA1CA2MAPK8MAPK9MAPK10
SCHEMBL8205692 0.85 MAPK8 (0.47) CA1CA2MAPK8MAPK9MAPK10
SCHEMBL8198360 0.83 ECE1 (0.46) CA1CA2MAPK8MAPK9MAPK10
SCHEMBL8207782 0.82 CA1 (0.49) CA1CA2MAPK8MAPK9MAPK10
SCHEMBL29333050 0.81 SMN1; SMN2 (0.51) CA1CA2HPGDALDH1A1HDAC1
SCHEMBL8199936 0.81 CACNA1G (0.52) HPGDALDH1A1KLKB1KLK1SMN1; SMN2
SCHEMBL8198357 0.81 CNR1 (0.52) MAPK8MAPK9HPGDALDH1A1HDAC1
SCHEMBL8205735 0.81 HTT (0.61) HPGDALDH1A1POLBHTT
SCHEMBL8205711 0.80 SMN1; SMN2 (0.44) MAPK8MAPK9HPGDALDH1A1CNR1
SCHEMBL8198502 0.80 SMN1; SMN2 (0.53) CA1CA2HPGDALDH1A1HTT

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 CA1 3679/4885CA2 4577/4885MASP2 1412/4885

“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.