SCHEMBL21144064

SCHEMBL21144064

Cc1csc(-c2nc(O)cc(C(C)C)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.38
ADORA1 P30542 2/20 0.38
MIF P14174 1/20 0.36
PDE10A Q9Y233 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
HCRTR1 O43613 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
PLAU P00749 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
SCHEMBL2118672 0.84 MIF (0.42) ADORA2AADORA1MIFPDE10ARAB9A
SCHEMBL21144000 0.83 ADORA2A (0.38) ADORA2AADORA1PDE10ARAB9ASMN1; SMN2
SCHEMBL19691023 0.81 MIF (0.40) ADORA2AADORA1MIFPDE10ARAB9A
SCHEMBL2117929 0.80 TYK2 (0.35) CYP2C9
SCHEMBL21144367 0.75 PDE10A (0.43) ADORA2AADORA1MIFPDE10ARAB9A
SCHEMBL21144153 0.74 MIF (0.36) ADORA2AADORA1MIFPDE10ARAB9A
SCHEMBL19690864 0.74 ADORA2A (0.36) ADORA2AADORA1MIFPDE10ARAB9A
SCHEMBL577698 0.71 PDE10A (0.39) ADORA2AMIFPDE10ALMNAHPGD
SCHEMBL21143774 0.70 PDE10A (0.40) ADORA2AADORA1MIFPDE10ARAB9A
SCHEMBL6506138 0.70 MEN1 (0.39) ADORA1RAB9ANPC1ALDH1A1LMNA

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-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20240317705-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885MIF 4849/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885MIF 4849/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885MIF 4849/4885

“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.