SCHEMBL22719210

SCHEMBL22719210

CCOC(=O)c1cccnc1-c1cncnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
TP53 P04637 3/20 0.46
HPGD P15428 1/20 0.46
TDP2 O95551 4/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DCTPP1 Q9H773 1/20 0.44
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
ELANE P08246 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL38658131 0.89 RAB9A (0.60) TSHRNPC1RAB9AHTTALDH1A1
SCHEMBL14840180 0.86 MAPK1 (0.56) TSHRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL29453738 0.86 MAPK1 (0.56) TSHRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL2564440 0.84 ALDH1A1 (0.60) TSHRNPC1RAB9AHTTALDH1A1
SCHEMBL20313136 0.83 TSHR (0.53) TSHRNPC1RAB9AHTTALDH1A1
SCHEMBL22719318 0.82 TSHR (0.49) TSHRNPC1RAB9AHTTALDH1A1
SCHEMBL22719350 0.82 TSHR (0.45) TSHRNPC1RAB9AHTTALDH1A1
SCHEMBL29453792 0.82 TSHR (0.45) TSHRNPC1RAB9AHTTALDH1A1
SCHEMBL25780705 0.81 TSHR (0.58) TSHRNPC1RAB9AHTTALDH1A1
SCHEMBL16276477 0.80 JAK2 (0.58) TSHRRAB9AHTTALDH1A1MAPT

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-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. 2022-10-20 US disclosed
EP-3976186-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Sage Therapeutics, Inc. (US) 2022-04-06 EP disclosed
WO-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 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 (1 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-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYP46A1, CYP26A1, CYP21A2 TSHR 4748/4885NPC1 129/4885RAB9A 1541/4885

“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.