SCHEMBL21144174

SCHEMBL21144174

CC(=O)NCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C=O)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.35
NAPEPLD Q6IQ20 3/20 0.32
F2 P00734 1/20 0.32
F11 P03951 1/20 0.32
MAPK1 P28482 3/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
METTL3 Q86U44 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CCNT1 O60563 1/20 0.31
KDM1A O60341 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 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
SCHEMBL21144021 0.88 CCNA2 (0.36) IDH1NAPEPLDF2F11MAPK1
SCHEMBL19686343 0.88 IDH1 (0.35) IDH1NAPEPLDF2F11MAPK1
SCHEMBL19687405 0.87 IDH1 (0.37) IDH1NAPEPLDF2F11MAPK1
SCHEMBL19686411 0.82 IDH1 (0.35) IDH1NAPEPLDF2F11PRKAB2
SCHEMBL19686409 0.82 PDE2A (0.35) IDH1NAPEPLDF2F11PRKAB2
SCHEMBL21143754 0.80 IDH1 (0.36) IDH1NAPEPLDF2F11MAPK1
SCHEMBL21166293 0.80 IDH1 (0.34) IDH1NAPEPLDF2F11PRKAB2
SCHEMBL19687272 0.80 IDH1 (0.32) IDH1MAPK1KDM1ARORC
SCHEMBL19686408 0.80 IDH1 (0.32) IDH1MAPK1KDM1ARORC
SCHEMBL21143975 0.80 IDH1 (0.34) IDH1NAPEPLDF2F11MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
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
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (3 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-20240317705-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885NAPEPLD 1989/4885F2 4167/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885NAPEPLD 1989/4885F2 4167/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885NAPEPLD 1989/4885F2 4167/4885

“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.