SCHEMBL19686482

SCHEMBL19686482

CC(=O)c1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
GAA P10253 5/20 0.43
THRB P10828 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
IDH1 O75874 1/20 0.40
POLB P06746 3/20 0.39
RAF1 P04049 1/20 0.38
MAPT P10636 7/20 0.37
LMNA P02545 6/20 0.37
APAF1 O14727 3/20 0.37
PIK3CA P42336 1/20 0.36
PIK3R1 P27986 1/20 0.36
SENP7 Q9BQF6 3/20 0.36
SENP6 Q9GZR1 3/20 0.36
NSD2 O96028 2/20 0.36

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
SCHEMBL21143630 0.88 ALDH1A1 (0.41) KDM4EGAATHRBKMT2AALDH1A1
Rimtuzalcap SCHEMBL19686931 0.86 IDH1 (0.43) KDM4EGAATHRBKMT2AALDH1A1
Rimtuzalcap SCHEMBL29920754 0.86 IDH1 (0.43) KDM4EGAATHRBKMT2AALDH1A1
SCHEMBL19687051 0.86 IDH1 (0.43) KDM4EGAATHRBKMT2AALDH1A1
SCHEMBL19687055 0.85 IDH1 (0.44) KDM4EGAATHRBKMT2AALDH1A1
SCHEMBL21144159 0.85 IDH1 (0.42) KDM4EGAATHRBKMT2AALDH1A1
SCHEMBL19687044 0.84 IDH1 (0.43) KDM4EGAATHRBKMT2AALDH1A1
SCHEMBL21143627 0.84 IDH1 (0.50) KDM4EGAATHRBKMT2AALDH1A1
SCHEMBL19687442 0.84 IDH1 (0.41) KDM4EGAATHRBKMT2AALDH1A1
SCHEMBL19686707 0.84 IDH1 (0.41) KDM4EGAATHRBKMT2AALDH1A1

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 KDM4E 1648/4885GAA 1172/4885THRB 1517/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 KDM4E 1648/4885GAA 1172/4885THRB 1517/4885

“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.