SCHEMBL21572369

SCHEMBL21572369

Cc1cc(Oc2c(F)ccc(C)c2F)ncc1NN

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.36
SCN9A Q15858 3/20 0.35
BRAF P15056 2/20 0.33
KDR P35968 2/20 0.33
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
GCK P35557 1/20 0.30

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
SCHEMBL18330558 0.86 GCK (0.41) BRAFKDRGCK
SCHEMBL31221536 0.86 GCK (0.41) BRAFKDRGCK
Hydrochloric Acid SCHEMBL31221545 0.85 GCK (0.40) BRAFKDRGCK
SCHEMBL18332225 0.81 MEN1 (0.39) SLC22A12SCN9ABRAFKDRALOX5AP
SCHEMBL18331937 0.81 ORAI1 (0.39) SCN9AKDRGCK
SCHEMBL20084620 0.81 GCK (0.35) GCK
SCHEMBL20084741 0.79 GCK (0.34) GCK
SCHEMBL20084126 0.78 KEAP1 (0.42) SCN9ABRAFKDRALOX5APFEN1
SCHEMBL18330595 0.78 MEN1 (0.52) BRAFALOX5APFEN1GCK
SCHEMBL18331943 0.77 MEN1 (0.43) SLC22A12SCN9ABRAFALOX5APFEN1

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-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 SLC22A12 3775/4885SCN9A 3831/4885BRAF 462/4885

“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.