SCHEMBL3495745

SCHEMBL3495745

COc1cc(-c2c(-c3ccncc3)nn3c(CN4C[C@@H]5C[C@H]4CN5C(=O)OC(C)(C)C)ccnc23)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.56
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40

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
SCHEMBL1019483 0.91 BRAF (0.57) BRAF
SCHEMBL1015045 0.82 BRAF (0.54) BRAF
SCHEMBL1015044 0.82 BRAF (0.54) BRAF
SCHEMBL3495749 0.78 BRAF (0.51) BRAF
SCHEMBL14016412 0.74 HSD11B1 (0.41) KCNK3KCNK9
SCHEMBL1016205 0.72 BRAF (0.57) BRAF
SCHEMBL1014983 0.72 BRAF (1.00) BRAF
SCHEMBL3497430 0.72 BRAF (0.68) BRAF
SCHEMBL2340114 0.71 HSD11B1 (0.47) KCNK3KCNK9
SCHEMBL1072198 0.71 BRAF (0.59) BRAF

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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 US claimed

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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF BRAF 1/4885KCNK3 1315/4885KCNK9 1021/4885

“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.