SCHEMBL21166005

SCHEMBL21166005

Cc1cc(C)n(Cc2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CO)n3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 13/20 0.41
KCNN2 Q9H2S1 1/20 0.37
KCNN3 Q9UGI6 1/20 0.37
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
GFER P55789 1/20 0.35
MAPT P10636 1/20 0.33
IDH2 P48735 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
SCHEMBL19687404 0.93 IDH1 (0.41) IDH1KCNN2KCNN3GFERMAPT
SCHEMBL19686311 0.86 IDH1 (0.47) IDH1KCNN2KCNN3CCNA2CDK2
SCHEMBL21144048 0.85 KDM4E (0.38) IDH1KCNN2KCNN3GFERMAPT
SCHEMBL21144172 0.85 IDH1 (0.46) IDH1KCNN2KCNN3CCNA2CDK2
SCHEMBL31127071 0.85 IDH1 (0.46) IDH1KCNN2KCNN3CCNA2CDK2
SCHEMBL21143761 0.81 IDH1 (0.42) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL19686822 0.80 IDH1 (0.47) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL31127252 0.80 KCNN2 (0.56) IDH1KCNN2KCNN3MAPT
SCHEMBL19686929 0.80 KCNN2 (0.56) IDH1KCNN2KCNN3MAPT
SCHEMBL21144205 0.79 IDH1 (0.38) 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 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 IDH1 3017/4885KCNN2 5/4885KCNN3 11/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885KCNN2 5/4885KCNN3 11/4885

“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.