SCHEMBL13823425

SCHEMBL13823425

C=C(C)c1cc(NC(=O)CNc2cccc(Oc3ccncc3)c2)no1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 16/20 0.53
GRK3 P35626 7/20 0.53
GRK5 P34947 4/20 0.46
RAF1 P04049 2/20 0.43
ROCK2 O75116 2/20 0.43
LMNA P02545 1/20 0.43
RIPK2 O43353 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL13972318 0.90 RAF1 (0.48) GRK2GRK3RAF1ROCK2LMNA
SCHEMBL4443071 0.83 RAF1 (0.61) GRK2GRK3RAF1RIPK2KDR
SCHEMBL4442571 0.77 RAF1 (0.62) GRK2GRK3GRK5RAF1ROCK2
SCHEMBL13823410 0.73 RAF1 (0.50) GRK2GRK3RAF1ROCK2RIPK2
SCHEMBL14136181 0.73 RAF1 (0.50) GRK2GRK3RAF1ROCK2LMNA
SCHEMBL4444438 0.72 RAF1 (0.72) RAF1RIPK2KDR
SCHEMBL4443422 0.70 GRK2 (0.50) GRK2GRK3GRK5RAF1ROCK2
SCHEMBL14496421 0.69 GRK2 (1.00) GRK2GRK3GRK5ROCK2LMNA
SCHEMBL4442586 0.69 RET (0.58) GRK2RAF1LMNARIPK2KDR
SCHEMBL3594471 0.68 IMPDH2 (0.58) GRK2GRK3GRK5ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163556-A1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHBITORS BUCHSTALLER HANS-PETER 2009-06-25 US disclosed
US-7476683-B2 e.g. N-(4-Chloro-3-trifluoro methyl phenyl)-2-[3-(4-pyridinyloxy)phenyl amino]-acetamide; serine/threonine kinase inhibitor; anticarcinogenic, antiproliferative, antidiabetic agent; autoimmune diseases; atherosclerosis, arthritis, Crohn's disease, retinopaty MERCK PATENT GMBH (DE) 2009-01-13 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-20090163556-A1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHBITORS ARAF, BRAF, RAF1 GRK2 151/4885GRK3 114/4885GRK5 243/4885

“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.