SCHEMBL19686494

SCHEMBL19686494

COc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.48
ADORA1 P30542 6/20 0.48
KCNN2 Q9H2S1 1/20 0.39
KCNN3 Q9UGI6 1/20 0.39
GAA P10253 3/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38
LRRK2 Q5S007 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CA P42336 1/20 0.36
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL19686815 0.89 ADORA2A (0.61) ADORA2AADORA1KCNN2KCNN3GAA
SCHEMBL19686707 0.84 IDH1 (0.41) ADORA2AADORA1GAAKMT2ASMN1; SMN2
SCHEMBL19686794 0.83 ADORA2A (0.44) ADORA2AADORA1GAAKMT2ASMN1; SMN2
SCHEMBL19687056 0.81 ADORA2A (0.43) ADORA2AADORA1KCNN2KCNN3GAA
SCHEMBL19686493 0.79 EHMT2 (0.37) ADORA2AADORA1GAAKMT2ASMN1; SMN2
SCHEMBL19687045 0.79 ADORA2A (0.63) ADORA2AADORA1KCNN2KCNN3GAA
Rimtuzalcap SCHEMBL29920754 0.79 IDH1 (0.43) ADORA2AADORA1GAAKMT2ASMN1; SMN2
Rimtuzalcap SCHEMBL19686931 0.79 IDH1 (0.43) ADORA2AADORA1GAAKMT2ASMN1; SMN2
SCHEMBL19687358 0.78 KMT2A (0.39) ADORA2AADORA1GAAKMT2ASMN1; SMN2
SCHEMBL19687412 0.78 ADORA2A (0.57) ADORA2AADORA1KCNN2KCNN3GAA

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 ADORA2A 1711/4885ADORA1 1011/4885KCNN2 5/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885KCNN2 5/4885

“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.