SCHEMBL21144386

SCHEMBL21144386

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.36
ADORA1 P30542 5/20 0.36
PDE10A Q9Y233 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
TGFBR1 P36897 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NOS1 P29475 1/20 0.32
S100A4 P26447 1/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL19686894 0.85 PDE10A (0.41) ADORA2AADORA1PDE10ACYP3A4CYP2E1
SCHEMBL21144153 0.83 MIF (0.36) ADORA2AADORA1PDE10ACYP3A4CYP2E1
SCHEMBL21143668 0.82 LMNA (0.49) ADORA2AADORA1PDE10ACYP3A4CYP2E1
SCHEMBL21144000 0.75 ADORA2A (0.38) ADORA2AADORA1PDE10ACYP3A4CYP2E1
SCHEMBL19690864 0.73 ADORA2A (0.36) ADORA2AADORA1PDE10ACYP3A4CYP2E1
SCHEMBL19690884 0.73 RAB9A (0.36) ADORA2AADORA1LMNAGLASMN1; SMN2
SCHEMBL21143801 0.71 CYP3A4 (0.47) PDE10ACYP3A4CYP2E1CYP2A6CYP2C9
SCHEMBL2117463 0.71 PDE10A (0.41) ADORA2AADORA1PDE10ACYP3A4CYP2E1
SCHEMBL21143865 0.71 ADORA2A (0.41) ADORA2AADORA1PDE10ACYP3A4CYP2E1
SCHEMBL21144025 0.71 ADORA2A (0.39) ADORA2AADORA1PDE10ACYP3A4CYP2E1

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 1011/4885PDE10A 484/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885PDE10A 484/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885PDE10A 484/4885

“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.