SCHEMBL19686775

SCHEMBL19686775

COC(=O)NC(C)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.36
IDH1 O75874 5/20 0.35
ACACB O00763 9/20 0.34
PRCP P42785 1/20 0.33
RET P07949 2/20 0.32
JAK2 O60674 1/20 0.32
KIF5B P33176 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
CCDC6 Q16204 1/20 0.32

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
SCHEMBL21144150 0.85 IDH1 (0.39) MAPK1IDH1
SCHEMBL31127180 0.85 IDH1 (0.39) MAPK1IDH1
SCHEMBL21143929 0.84 IDH1 (0.35) MAPK1IDH1
SCHEMBL31127283 0.84 IDH1 (0.40) IDH1
SCHEMBL19687346 0.84 IDH1 (0.40) IDH1
SCHEMBL21143730 0.83 IDH1 (0.39) MAPK1IDH1
SCHEMBL19686776 0.82 IDH1 (0.34) MAPK1IDH1
SCHEMBL19686409 0.82 PDE2A (0.35) IDH1RET
SCHEMBL21165902 0.81 IDH1 (0.36) IDH1
SCHEMBL21144135 0.81 IDH1 (0.42) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO 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 (2 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 MAPK1 717/4885IDH1 3017/4885ACACB 3546/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 MAPK1 717/4885IDH1 3017/4885ACACB 3546/4885

“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.