SCHEMBL19686724

SCHEMBL19686724

Cc1ccn(-c2cc(OCc3ncn(C)n3)cc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.34
JAK2 O60674 1/20 0.33
RPS6KA1 Q15418 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
KCNN2 Q9H2S1 1/20 0.30
KCNN3 Q9UGI6 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
SCHEMBL19687266 0.87 KCNN2 (0.39) IDH1JAK2RPS6KA1GABRA1GABRG2
SCHEMBL19686727 0.85 IDH1 (0.33) IDH1
SCHEMBL19686731 0.84 IDH1 (0.33) IDH1GABRA1GABRG2GABRB3GABRA5
SCHEMBL21144438 0.82 IDH1 (0.40) IDH1
SCHEMBL19686728 0.82 IDH1 (0.33) IDH1
SCHEMBL19686427 0.82 IDH1 (0.35) IDH1
SCHEMBL19687355 0.81 IDH1 (0.33) IDH1
SCHEMBL19686729 0.81 IDH1 (0.33) IDH1
SCHEMBL19686725 0.80 IDH1 (0.33) IDH1
SCHEMBL21144135 0.79 IDH1 (0.42) IDH1KCNN2KCNN3

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 3017/4885JAK2 2732/4885RPS6KA1 669/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885JAK2 2732/4885RPS6KA1 669/4885

“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.