SCHEMBL19686674

SCHEMBL19686674

COC[C@H]1CN(c2cc(NC3CCC(F)(F)CC3)nc(-c3nc(C)cs3)n2)CCO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.36
LRRK2 Q5S007 6/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
IDH2 P48735 1/20 0.32
SYK P43405 1/20 0.32
DRD4 P21917 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CCNK O75909 1/20 0.30
CDK9 P50750 1/20 0.30
MDM2 Q00987 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
SCHEMBL19687013 1.00 IDH1 (0.36) IDH1LRRK2IRAK4ADORA2AADORA1
SCHEMBL19687017 1.00 IDH1 (0.36) IDH1LRRK2IRAK4ADORA2AADORA1
SCHEMBL19687070 0.92 IDH1 (0.36) IDH1IDH2DRD4SIGMAR1
SCHEMBL19686474 0.91 IDH1 (0.38) IDH1IRAK4ADORA2AIDH2
SCHEMBL19687081 0.90 IDH1 (0.37) IDH1LRRK2IRAK4IDH2
SCHEMBL19686991 0.90 HRH4 (0.38) LRRK2IRAK4ADORA2AADORA1
SCHEMBL19686987 0.90 HRH4 (0.38) LRRK2IRAK4ADORA2AADORA1
SCHEMBL19686990 0.90 HRH4 (0.38) LRRK2IRAK4ADORA2AADORA1
SCHEMBL19687069 0.88 IDH1 (0.36) IDH1IRAK4IDH2
SCHEMBL21165919 0.86 SYK (0.36) IDH1LRRK2IRAK4IDH2SYK

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 IDH1 3017/4885LRRK2 1193/4885IRAK4 1952/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885LRRK2 1193/4885IRAK4 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.