SCHEMBL21165883

SCHEMBL21165883

COc1cc(C#N)cnc1OCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 1/20 0.34
CSF1R P07333 3/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
IDH1 O75874 4/20 0.33
HCRTR1 O43613 2/20 0.33
LRRK2 Q5S007 1/20 0.32
CCR6 P51684 2/20 0.32
DCK P27707 1/20 0.31
NSD2 O96028 2/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL19687064 0.86 SLC34A1 (0.38) SLC34A1IRAK4IDH1HCRTR1CCR6
SCHEMBL19686407 0.81 IDH1 (0.38) IDH1
SCHEMBL19686406 0.80 IDH1 (0.40) SLC34A1IRAK4IDH1
SCHEMBL19687062 0.80 IDH1 (0.36) SLC34A1IDH1
SCHEMBL19687063 0.80 CCNT1 (0.35) SLC34A1IDH1HCRTR1
SCHEMBL19687057 0.79 IDH1 (0.34) IDH1
SCHEMBL21144169 0.78 IDH1 (0.40) IDH1
SCHEMBL19687058 0.78 HCRTR1 (0.40) IDH1HCRTR1
SCHEMBL31127355 0.78 GABRA1 (0.35) IDH1HCRTR1
SCHEMBL19686410 0.78 GABRA1 (0.35) IDH1HCRTR1

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 2 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

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 SLC34A1 195/4885CSF1R 3845/4885IRAK4 1952/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 SLC34A1 195/4885CSF1R 3845/4885IRAK4 1952/4885

“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.