SCHEMBL19686738

SCHEMBL19686738

Cc1csc(-c2nc(NC3CCCCC3=O)cc(N3CCOCC3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.41
ADORA2A P29274 2/20 0.36
PIK3R2 O00459 3/20 0.35
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADORA1 P30542 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MEN1 O00255 2/20 0.34
PDE10A Q9Y233 1/20 0.34
IGF1R P08069 1/20 0.34
ATM Q13315 2/20 0.33
GAA P10253 2/20 0.33
GBA1 P04062 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL31127059 1.00 IRAK4 (0.41) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2
SCHEMBL21165938 0.84 HRH4 (0.44) IRAK4ADORA2AKMT2ASMN1; SMN2CRHBP
SCHEMBL21165937 0.81 IRAK4 (0.38) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2
SCHEMBL21166228 0.81 IRAK4 (0.38) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2
SCHEMBL19687416 0.81 IRAK4 (0.38) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2
SCHEMBL21144446 0.80 FABP4 (0.33) IRAK4ADORA2AADORA1ALDH1A1
SCHEMBL31127388 0.80 FABP4 (0.33) IRAK4ADORA2AADORA1ALDH1A1
SCHEMBL19687040 0.80 PDE10A (0.40) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2
SCHEMBL19687034 0.79 IRAK4 (0.38) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2
SCHEMBL19686432 0.79 IRAK4 (0.37) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2

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 5 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-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
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 1711/4885PIK3R2 2034/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IRAK4 1952/4885ADORA2A 1711/4885PIK3R2 2034/4885

“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.