SCHEMBL16990706

SCHEMBL16990706

CC(C)(C)c1cc(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)no1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.62
KDR P35968 1/20 0.62
RIPK2 O43353 1/20 0.56
MAPK13 O15264 2/20 0.54
MAPK14 Q16539 2/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
CSF1R P07333 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL15574401 0.91 RAF1 (0.77) RAF1KDRRIPK2MAPK13MAPK14
SCHEMBL16990654 0.87 HDAC1 (0.55) RAF1KDR
SCHEMBL102637 0.87 RAF1 (0.72) RAF1KDRRIPK2MAPK13MAPK14
SCHEMBL13234879 0.81 RAF1 (0.77) RAF1KDRRIPK2MAPK13MAPK14
SCHEMBL16990603 0.81 HDAC1 (0.59)
SCHEMBL2944830 0.81 RAF1 (0.66) RAF1RIPK2MAPK13MAPK14MAPK12
SCHEMBL16990623 0.81 P2RX3 (0.49) MAPK14
SCHEMBL15573219 0.80 GRM5 (0.52) KDRFLT3
SCHEMBL101749 0.80 RAF1 (0.64) RAF1KDRRIPK2MAPK13MAPK14
SCHEMBL15574560 0.79 NPC1 (0.58) RAF1KDRMAPK13MAPK14CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 RAF1 3072/4885KDR 404/4885RIPK2 472/4885

“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.