SCHEMBL21165971

SCHEMBL21165971

Cc1ccn(-c2nc(COc3ccc(C(N)=O)nn3)cc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 11/20 0.40
IDH1 O75874 6/20 0.36
ROCK2 O75116 1/20 0.32
NNMT P40261 1/20 0.31
CD38 P28907 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
SCHEMBL19687060 0.87 GABRA1 (0.40) GABRA1IDH1ROCK2NNMT
SCHEMBL21143787 0.85 IDH1 (0.41) IDH1ROCK2CD38
SCHEMBL31127174 0.81 IDH1 (0.44) IDH1
SCHEMBL21143933 0.81 IDH1 (0.44) IDH1
SCHEMBL21165977 0.80 IDH1 (0.37) IDH1
SCHEMBL31127071 0.79 IDH1 (0.46) IDH1
SCHEMBL21144172 0.79 IDH1 (0.46) IDH1
SCHEMBL21143854 0.79 IDH1 (0.46) IDH1
SCHEMBL31127082 0.79 IDH1 (0.46) IDH1
SCHEMBL21165901 0.79 IDH1 (0.41) IDH1CD38

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 GABRA1 325/4885IDH1 3017/4885ROCK2 3705/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 GABRA1 325/4885IDH1 3017/4885ROCK2 3705/4885

“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.