SCHEMBL21144115

SCHEMBL21144115

Cc1csc(-c2nc(N3CCOCC3)cc(N(C(=O)O)C3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
HTT P42858 2/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 2/20 0.33
PIK3R2 O00459 3/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
GBA1 P04062 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRB2 P07550 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATR Q13535 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NAPEPLD Q6IQ20 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CREBBP Q92793 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
SCHEMBL21143613 0.89 IDH1 (0.36) HTTATMMAPTKMT2AMEN1
SCHEMBL21143649 0.89 PIK3CA (0.33) HTTATMKMT2AMEN1ATR
SCHEMBL21144074 0.89 IDH1 (0.43) HTTKMT2AMEN1ATRNPSR1
SCHEMBL21144117 0.89 NPSR1 (0.32) HTTATMKMT2AMEN1ATR
SCHEMBL21144429 0.89 IDH1 (0.43) NPSR1NAPEPLD
SCHEMBL19687466 0.89 PIK3R2 (0.32) ADORA2AMAPTPIK3R2ATR
SCHEMBL21144145 0.88 NPSR1 (0.32) HTTGBA1ATRNPSR1NAPEPLD
SCHEMBL21166046 0.80 IDH1 (0.40) NPSR1IRAK4
SCHEMBL19686598 0.79 IDH1 (0.40) ATR
SCHEMBL19687237 0.79 GPR119 (0.33) ATR

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 2 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

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 1711/4885HTT 1384/4885RAB9A 1362/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885HTT 1384/4885RAB9A 1362/4885

“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.