SCHEMBL21166229

SCHEMBL21166229

CSc1nc(N2CCOCC2)cc(-n2nc(C)cc2C)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.65
ALDH1A1 P00352 2/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 2/20 0.59
ADORA2A P29274 3/20 0.52
ADORA1 P30542 3/20 0.52
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALOX15 P16050 2/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL13119696 0.82 KMT2A (0.70) SMN1; SMN2ALDH1A1HTTKMT2AKDM4E
SCHEMBL21144053 0.81 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1HTTKMT2AADORA2A
SCHEMBL21143745 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HTTKMT2AADORA2A
SCHEMBL21144128 0.81 GBA1 (0.49) SMN1; SMN2ALDH1A1HTTKMT2AADORA2A
SCHEMBL19708837 0.80 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HTTKMT2AADORA2A
SCHEMBL19687495 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HTTKMT2AADORA2A
SCHEMBL4213091 0.77 KMT2A (0.70) SMN1; SMN2ALDH1A1HTTKMT2AADORA2A
SCHEMBL21144344 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HTTKMT2AADORA2A
SCHEMBL21144023 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HTTKMT2AADORA2A
SCHEMBL11454994 0.76 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HTTKMT2AADORA2A

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 SMN1; SMN2 1109/4885ALDH1A1 1320/4885HTT 1384/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 SMN1; SMN2 1109/4885ALDH1A1 1320/4885HTT 1384/4885

“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.