SCHEMBL19687064

SCHEMBL19687064

Cc1ccn(-c2cc(COc3ccc(C#N)cn3)cc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 1/20 0.38
HCRTR1 O43613 3/20 0.37
CCNK O75909 3/20 0.35
CDK12 Q9NYV4 3/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCR6 P51684 4/20 0.35
IRAK4 Q9NWZ3 2/20 0.33
IDH1 O75874 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33
KCNH2 Q12809 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
HSD11B1 P28845 1/20 0.32
HSD11B2 P80365 1/20 0.32
HCRTR2 O43614 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
SCHEMBL19687058 0.89 HCRTR1 (0.40) HCRTR1IDH1HCRTR2
SCHEMBL19687062 0.87 IDH1 (0.36) SLC34A1IDH1
SCHEMBL21165883 0.86 SLC34A1 (0.34) SLC34A1HCRTR1CCR6IRAK4IDH1
SCHEMBL21165977 0.86 IDH1 (0.37) SLC34A1HCRTR1CCNKCDK12CCNA2
SCHEMBL31127355 0.85 GABRA1 (0.35) HCRTR1IDH1HCRTR2
SCHEMBL19686410 0.85 GABRA1 (0.35) HCRTR1IDH1HCRTR2
SCHEMBL19686406 0.83 IDH1 (0.40) SLC34A1IRAK4IDH1EGLN2
SCHEMBL19687063 0.82 CCNT1 (0.35) SLC34A1HCRTR1IDH1HCRTR2
SCHEMBL19686407 0.82 IDH1 (0.38) IDH1
SCHEMBL19687146 0.81 IDH1 (0.33) 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 SLC34A1 195/4885HCRTR1 2875/4885CCNK 3484/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 SLC34A1 195/4885HCRTR1 2875/4885CCNK 3484/4885

“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.