SCHEMBL23219610

SCHEMBL23219610

O=C(O)c1n[nH]c(Cc2ccc(F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.49
RIPK1 Q13546 9/20 0.44
HDAC6 Q9UBN7 1/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
KLKB1 P03952 2/20 0.40

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
SCHEMBL24193842 0.86 ALPL (0.48) ALPLRIPK1HDAC6KLKB1
SCHEMBL24193687 0.86 ALPL (0.48) ALPLRIPK1HDAC6KLKB1
SCHEMBL19224520 0.85 NR1H2 (0.56) ALPLRIPK1HDAC6NR1H2NR1H3
SCHEMBL23337455 0.84 RIPK1 (0.41) RIPK1KLKB1
SCHEMBL24812993 0.84 HDAC6 (0.46) ALPLRIPK1HDAC6NR1H2NR1H3
SCHEMBL23337254 0.82 HCAR2 (0.58) RIPK1KLKB1
SCHEMBL21776198 0.76 RIPK1 (0.50) ALPLRIPK1
SCHEMBL24167145 0.73 NR1H2 (0.53) ALPLRIPK1HDAC6NR1H2NR1H3
SCHEMBL23085471 0.73 NR1H2 (0.53) ALPLRIPK1HDAC6NR1H2NR1H3
SCHEMBL30848602 0.72 NR1H2 (0.51) ALPLRIPK1HDAC6NR1H2NR1H3

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-20240217958-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2024-07-04 US disclosed
US-20240217958-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2024-07-04 US disclosed
US-20210214347-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-07-15 US disclosed
EP-3816163-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-05 EP disclosed
US-10975064-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-04-13 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 (3 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-20210214347-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 ALPL 4226/4885RIPK1 1/4885HDAC6 1624/4885
US-20240217958-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 ALPL 4226/4885RIPK1 1/4885HDAC6 1624/4885
US-10975064-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 ALPL 4226/4885RIPK1 1/4885HDAC6 1624/4885

“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.