SCHEMBL16990631

SCHEMBL16990631

COc1cc(Cl)c(C(F)(F)F)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 14/20 0.68
▸ GSK3B P49841 3/20 0.56
▸ BRAF P15056 4/20 0.52
▸ DDR2 Q16832 4/20 0.52
▸ KDR P35968 3/20 0.48
▸ RIPK2 O43353 2/20 0.48
▸ ABCB11 O95342 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ RET P07949 2/20 0.48
▸ HTR1A P08908 2/20 0.48
▸ PDGFRB P09619 2/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ KIT P10721 2/20 0.48
▸ FGFR1 P11362 2/20 0.48
▸ PDGFRA P16234 2/20 0.48
▸ FLT1 P17948 2/20 0.48
▸ MAOA P21397 2/20 0.48
▸ EPHA1 P21709 2/20 0.48
▸ TBXA2R P21731 2/20 0.48
▸ EPHA2 P29317 2/20 0.48

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
SCHEMBL171051 0.92 RAF1 (0.71) RAF1GSK3BBRAFDDR2KDR
SCHEMBL16990682 0.90 RAF1 (0.58) RAF1GSK3BBRAFDDR2KDR
SCHEMBL15574249 0.90 GSK3B (0.60) RAF1GSK3BBRAFDDR2KDR
SCHEMBL15574618 0.90 DDR2 (0.55) RAF1GSK3BDDR2KMT2A
SCHEMBL16990687 0.90 GSK3B (0.58) RAF1GSK3BBRAFDDR2KDR
SCHEMBL15574607 0.89 GSK3B (0.58) RAF1GSK3BBRAFDDR2KDR
SCHEMBL16990587 0.89 GSK3B (0.58) RAF1GSK3BBRAFDDR2KDR
SCHEMBL16990666 0.89 GSK3B (0.59) RAF1GSK3BBRAFDDR2KDR
SCHEMBL13603562 0.88 DDR2 (0.57) RAF1GSK3BDDR2MEN1KMT2A
SCHEMBL15574838 0.88 GSK3B (0.56) RAF1GSK3BBRAFDDR2KDR

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 3072/4885GSK3B 494/4885BRAF 3224/4885

“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.

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