SCHEMBL19686928

SCHEMBL19686928

FCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(F)C3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 12/20 0.41
IDH2 P48735 1/20 0.32
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
CCNT1 O60563 1/20 0.31
CCND3 P30281 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 1/20 0.31
CDK6 Q00534 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
SCHEMBL31127228 1.00 IDH1 (0.41) IDH1IDH2CCNA2CDK2CDK5
SCHEMBL31127334 0.91 IDH1 (0.42) IDH1IDH2CCNA2CDK2CDK5
SCHEMBL19686924 0.91 IDH1 (0.42) IDH1IDH2CCNA2CDK2CDK5
SCHEMBL19686403 0.87 IDH1 (0.42) IDH1IDH2
SCHEMBL31127277 0.85 IDH1 (0.41) IDH1IDH2CCNA2CDK2CDK5
SCHEMBL19687263 0.85 IDH1 (0.41) IDH1IDH2CCNA2CDK2CDK5
SCHEMBL19686559 0.84 IDH1 (0.37) IDH1IDH2CCNA2CDK2CDK5
SCHEMBL31127207 0.83 IDH1 (0.42) IDH1IDH2CCNA2CDK2CDK5
SCHEMBL19687511 0.83 IDH1 (0.42) IDH1IDH2CCNA2CDK2CDK5
SCHEMBL19686634 0.83 IDH1 (0.37) IDH1CCNA2CDK2CDK5CDK5R1

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 3017/4885IDH2 2447/4885CCNA2 4797/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885CCNA2 4797/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885CCNA2 4797/4885

“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.