SCHEMBL19687502

SCHEMBL19687502

CC(C)(C)C(=O)N1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CO)n3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.39
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CDK5 Q00535 3/20 0.35
CDK5R1 Q15078 3/20 0.35
CCNT1 O60563 1/20 0.34
CCND3 P30281 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK6 Q00534 1/20 0.34
IDH2 P48735 1/20 0.32
RORC P51449 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
ACACB O00763 1/20 0.30
DRD3 P35462 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
SCHEMBL19686635 0.94 IDH1 (0.38) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL19686648 0.93 IDH1 (0.41) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL31127298 0.91 IDH1 (0.40) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL19686831 0.91 IDH1 (0.40) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL31127315 0.90 IDH1 (0.40) IDH1IDH2RORC
SCHEMBL19687244 0.90 IDH1 (0.38) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL19686540 0.90 IDH1 (0.40) IDH1IDH2RORC
SCHEMBL19687503 0.89 IDH1 (0.39) IDH1IDH2
SCHEMBL19686908 0.88 IDH1 (0.38) IDH1IDH2
SCHEMBL19686341 0.88 IDH1 (0.38) IDH1IDH2

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 6 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
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 (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 3017/4885CCNA2 4797/4885CDK2 4098/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885CCNA2 4797/4885CDK2 4098/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885CCNA2 4797/4885CDK2 4098/4885

“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.