SCHEMBL19224693

SCHEMBL19224693

C[C@H]1Oc2ncccc2N(C)C(=O)[C@H]1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.46
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35

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
SCHEMBL30036591 0.77 AADAT (0.41) RIPK1GABRPGABRDGABRA1GABRB1
SCHEMBL19592502 0.77 AADAT (0.41) RIPK1GABRPGABRDGABRA1GABRB1
SCHEMBL1562017 0.77 AADAT (0.41) RIPK1GABRPGABRDGABRA1GABRB1
SCHEMBL19224600 0.77 RIPK1 (0.47) RIPK1
SCHEMBL32680069 0.77 RIPK1 (0.47) RIPK1
SCHEMBL19224596 0.77 RIPK1 (0.47) RIPK1
Hydrochloric Acid SCHEMBL19207972 0.76 RIPK1 (0.46) RIPK1
SCHEMBL2819188 0.74 RIPK1 (0.46) RIPK1ADORA3ADORA2AADORA1GABRP
SCHEMBL19224695 0.72 RIPK1 (0.56) RIPK1
Hydrochloric Acid SCHEMBL29415634 0.70 RIPK1 (0.40) RIPK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US disclosed
US-20200317691-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2020-10-08 US disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 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 (5 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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB RIPK1 416/4885ADORA3 2605/4885ADORA2A 1520/4885
US-20200317691-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB RIPK1 416/4885ADORA3 2605/4885ADORA2A 1520/4885
US-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB RIPK1 416/4885ADORA3 2605/4885ADORA2A 1520/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB RIPK1 416/4885ADORA3 2605/4885ADORA2A 1520/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB RIPK1 416/4885ADORA3 2605/4885ADORA2A 1520/4885

“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.