SCHEMBL403380

SCHEMBL403380

Cc1ccc(NC(=O)Nc2cccc(CN3[C@H](C)C(C)N(C(=O)O)C[C@@H]3C)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.40
MAPK8 P45983 8/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.36
MAPK9 P45984 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DDX3X O00571 1/20 0.35
RORC P51449 1/20 0.35
DHODH Q02127 1/20 0.35
AR P10275 1/20 0.35
CCR3 P51677 2/20 0.35
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 1/20 0.34
LIMK1 P53667 1/20 0.34

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
SCHEMBL402604 0.91 MAPK10 (0.38) MAPK10MAPK8NPSR1HTTMAPK9
SCHEMBL3204580 0.89 NPSR1 (0.41) MAPK10MAPK8NPSR1HTTMAPK9
SCHEMBL2251440 0.87 SMARCA2 (0.39) MAPK10MAPK8MAPK9MEN1KMT2A
SCHEMBL23573782 0.86 NPSR1 (0.42) MAPK10MAPK8NPSR1HTTMAPK9
SCHEMBL2256236 0.85 MAPK10 (0.40) MAPK10MAPK8NPSR1HTTMAPK9
SCHEMBL2249160 0.85 MAPK10 (0.40) MAPK10MAPK8NPSR1HTTMAPK9
SCHEMBL3208737 0.84 RORC (0.47) MAPK10MAPK8NPSR1RORCDHODH
SCHEMBL3214027 0.84 RORC (0.47) MAPK10MAPK8NPSR1RORCDHODH
SCHEMBL3200068 0.84 RORC (0.47) MAPK10MAPK8NPSR1RORCDHODH
SCHEMBL29714051 0.84 MAPK10 (0.41) MAPK10MAPK8NPSR1HTTMAPK9

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
US-7989455-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-08-02 US claimed
US-8513257-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INCORPORATED (US) 2013-08-20 US disclosed
US-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure CYTOKINETICS, INC. 2012-07-05 US disclosed
US-8110595-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2012-02-07 US disclosed
US-8101617-B2 Disubstituted ureas and uses thereof in treating heart failure AMGEN, INC. (US) 2012-01-24 US disclosed
US-7989455-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-08-02 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-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure TNNI3, TNNT2, MYLK2 MAPK10 2342/4885MAPK8 3165/4885NPSR1 4262/4885

“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.