SCHEMBL19687416

SCHEMBL19687416

Cc1csc(-c2nc(N[C@@H]3CCCC[C@H]3O)cc(N3CCOCC3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.36
SYK P43405 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PIK3R2 O00459 1/20 0.34
GAA P10253 2/20 0.34
GBA1 P04062 1/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34

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
SCHEMBL21166228 1.00 IRAK4 (0.38) IRAK4ADORA2AADORA1MAPTKMT2A
SCHEMBL21165937 0.89 IRAK4 (0.38) IRAK4ADORA2AADORA1MAPTKMT2A
SCHEMBL21165938 0.86 HRH4 (0.44) IRAK4ADORA2AMAPTKMT2ASMN1; SMN2
SCHEMBL19687040 0.81 PDE10A (0.40) IRAK4ADORA2AMAPTKMT2ASMN1; SMN2
SCHEMBL31127059 0.81 IRAK4 (0.41) IRAK4ADORA2AADORA1MAPTKMT2A
SCHEMBL19686738 0.81 IRAK4 (0.41) IRAK4ADORA2AADORA1MAPTKMT2A
SCHEMBL19686432 0.80 IRAK4 (0.37) IRAK4ADORA2AADORA1MAPTKMT2A
SCHEMBL21143659 0.79 IDH1 (0.37) IRAK4ADORA2AADORA1MAPTKMT2A
SCHEMBL31127080 0.79 IDH1 (0.37) IRAK4ADORA2AADORA1MAPTKMT2A
SCHEMBL19687034 0.79 IRAK4 (0.38) IRAK4ADORA2AADORA1MAPTKMT2A

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 IRAK4 1952/4885ADORA2A 1711/4885ADORA1 1011/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IRAK4 1952/4885ADORA2A 1711/4885ADORA1 1011/4885

“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.