SCHEMBL8209007

SCHEMBL8209007

Cc1nc2ccc(CNC(=O)c3cccc(C(=O)NC(C)C)n3)cc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NOD2 Q9HC29 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.39
MMP13 P45452 1/20 0.39
ACSS2 Q9NR19 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACACB O00763 1/20 0.39
PKM P14618 1/20 0.39
BLM P54132 1/20 0.39
BMPR2 Q13873 1/20 0.39
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8209006 0.92 KLKB1 (0.45) MEN1KMT2ANOD2ALDH1A1MAPT
SCHEMBL8206437 0.85 ADRB2 (0.41) MEN1KMT2AALDH1A1MAPTACSS2
SCHEMBL8205814 0.80 ACSS2 (0.35) ALDH1A1MAPTACSS2SMN1; SMN2ACACB
SCHEMBL29333050 0.78 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1MMP13SMN1; SMN2
SCHEMBL12853358 0.78 HPGD (0.53) ALDH1A1ROCK2ROCK1THRBMAPT
SCHEMBL12853261 0.77 MAPT (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8208043 0.77 MMP13 (0.49) MEN1KMT2ANOD2ALDH1A1ROCK2
SCHEMBL8213321 0.76 ALDH1A1 (0.41) MEN1KMT2ANOD2ALDH1A1ROCK2
SCHEMBL17012020 0.76 ADRB2 (0.40) ALDH1A1THRBMAPTACSS2SMN1; SMN2
SCHEMBL8208507 0.76 KMT2A (0.65) MEN1KMT2ANOD2ALDH1A1SMN1; SMN2

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 MEN1 3562/4885KMT2A 4373/4885NOD2 3074/4885

“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.