SCHEMBL24660720

SCHEMBL24660720

Cc1cc(-c2noc([C@H](C)N)n2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.50
▸ S1PR3 Q99500 1/20 0.50
▸ KCNT1 Q5JUK3 1/20 0.47
▸ TSHR P16473 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL24660577 1.00 S1PR1 (0.50) S1PR1S1PR3KCNT1TSHRL3MBTL1
SCHEMBL24660541 1.00 S1PR1 (0.50) S1PR1S1PR3KCNT1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL29478782 0.98 S1PR1 (0.49) S1PR1S1PR3KCNT1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL22637823 0.98 S1PR1 (0.49) S1PR1S1PR3KCNT1TSHRL3MBTL1
SCHEMBL22637952 0.84 S1PR1 (0.47) S1PR1S1PR3KCNT1ALDH1A1TLR9
SCHEMBL22637953 0.84 S1PR1 (0.47) S1PR1S1PR3KCNT1ALDH1A1TLR9
SCHEMBL29463528 0.84 S1PR1 (0.47) S1PR1S1PR3KCNT1ALDH1A1TLR9
SCHEMBL24660471 0.81 S1PR1 (0.55) S1PR1S1PR3KCNT1SMN1; SMN2HDAC4
SCHEMBL22637842 0.81 KCNT1 (0.51) S1PR1S1PR3KCNT1TSHRSMN1; SMN2
SCHEMBL24660777 0.81 S1PR1 (0.55) S1PR1S1PR3KCNT1SMN1; SMN2HDAC4

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 3 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

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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