SCHEMBL19686432

SCHEMBL19686432

Cc1csc(-c2nc(NC3CCCCC3(F)F)cc(N3CCOCC3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.37
ADORA2A P29274 2/20 0.36
PIK3R2 O00459 6/20 0.36
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADORA1 P30542 1/20 0.34
PDE10A Q9Y233 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
JAK2 O60674 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL19686649 0.84 IDH1 (0.44) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2
SCHEMBL21165937 0.84 IRAK4 (0.38) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2
SCHEMBL21165938 0.84 HRH4 (0.44) IRAK4ADORA2AKMT2ASMN1; SMN2PDE10A
SCHEMBL19686473 0.83 IDH1 (0.41) IRAK4ADORA2APIK3R2PDE10A
SCHEMBL19686784 0.83 IDH1 (0.40) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2
SCHEMBL19687040 0.81 PDE10A (0.40) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2
SCHEMBL21144045 0.81 IDH1 (0.38) IRAK4ADORA2AADORA1
SCHEMBL31127372 0.81 IDH1 (0.38) IRAK4ADORA2AADORA1
SCHEMBL21166228 0.80 IRAK4 (0.38) IRAK4ADORA2APIK3R2KMT2ASMN1; SMN2
SCHEMBL19687416 0.80 IRAK4 (0.38) 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 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 1711/4885PIK3R2 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.