SCHEMBL22637952

SCHEMBL22637952

CC[C@H](N)c1nc(-c2ccnc(C)c2)no1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 10/20 0.47
▸ S1PR3 Q99500 2/20 0.47
▸ KCNT1 Q5JUK3 1/20 0.43
▸ TLR9 Q9NR96 5/20 0.40
▸ TLR8 Q9NR97 5/20 0.40
▸ TLR7 Q9NYK1 5/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29463528 1.00 S1PR1 (0.47) S1PR1S1PR3KCNT1TLR9TLR8
SCHEMBL22637953 1.00 S1PR1 (0.47) S1PR1S1PR3KCNT1TLR9TLR8
SCHEMBL24660720 0.84 S1PR1 (0.50) S1PR1S1PR3KCNT1TLR9TLR8
SCHEMBL24660577 0.84 S1PR1 (0.50) S1PR1S1PR3KCNT1TLR9TLR8
SCHEMBL24660541 0.84 S1PR1 (0.50) S1PR1S1PR3KCNT1TLR9TLR8
Hydrochloric Acid SCHEMBL22637823 0.83 S1PR1 (0.49) S1PR1S1PR3KCNT1TLR9TLR8
Hydrochloric Acid SCHEMBL29478782 0.83 S1PR1 (0.49) S1PR1S1PR3KCNT1TLR9TLR8
SCHEMBL22637730 0.82 KCNT1 (0.51) S1PR1KCNT1
SCHEMBL22637731 0.82 KCNT1 (0.51) S1PR1KCNT1
SCHEMBL29463512 0.82 KCNT1 (0.51) S1PR1KCNT1

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-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-06-01 — — US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 — — US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 — — CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 — — EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 — — 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-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 S1PR1 3183/4885S1PR3 3094/4885KCNT1 1/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 S1PR1 3183/4885S1PR3 3094/4885KCNT1 1/4885

“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.

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