SCHEMBL3545972

SCHEMBL3545972

CCC1(C)C(=O)N(CCN(C)C)CCN1C(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.53
RPS6KB1 P23443 3/20 0.50
SGK1 O00141 1/20 0.50
MAPK13 O15264 1/20 0.50
DAPK3 O43293 1/20 0.50
RIPK2 O43353 1/20 0.50
NTRK1 P04629 1/20 0.50
PRKCB P05771 1/20 0.50
LYN P07948 1/20 0.50
RET P07949 1/20 0.50
CYP3A4 P08684 1/20 0.50
BRAF P15056 1/20 0.50
EPHA2 P29317 1/20 0.50
EPHB2 P29323 1/20 0.50
ACVR1B P36896 1/20 0.50
MAPK9 P45984 1/20 0.50
NEK3 P51956 1/20 0.50
MAPK12 P53778 1/20 0.50
EPHB4 P54760 1/20 0.50
TEK Q02763 1/20 0.50

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
SCHEMBL3552138 0.86 MAPK14 (0.70) MAPK14RPS6KB1SGK1MAPK13DAPK3
SCHEMBL3549914 0.81 MAPK14 (0.59) MAPK14RPS6KB1SGK1MAPK13DAPK3
SCHEMBL3544511 0.80 MAPK14 (0.48) MAPK14RPS6KB1SGK1MAPK13DAPK3
SCHEMBL3546407 0.78 MAPK14 (0.56) MAPK14RPS6KB1SGK1MAPK13DAPK3
SCHEMBL3545690 0.78 MAPK14 (0.73) MAPK14RPS6KB1SGK1MAPK13DAPK3
SCHEMBL3545792 0.77 MAPK14 (0.60) MAPK14RPS6KB1SGK1MAPK13DAPK3
SCHEMBL3543096 0.77 MAPK14 (0.57) MAPK14RPS6KB1SGK1MAPK13DAPK3
SCHEMBL3543242 0.77 MAPK14 (0.57) MAPK14RPS6KB1SGK1MAPK13DAPK3
SCHEMBL3552161 0.77 MAPK14 (0.45) MAPK14RPS6KB1SGK1MAPK13DAPK3
SCHEMBL3546622 0.77 MAPK14 (0.55) MAPK14RPS6KB1SGK1MAPK13DAPK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 MAPK14 47/4885RPS6KB1 207/4885SGK1 892/4885

“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.