SCHEMBL17883296

SCHEMBL17883296

CC(C)CCNC(=O)c1cn(-c2ccccc2)nn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.63
ACKR3 P25106 4/20 0.54
MIF P14174 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GLA P06280 1/20 0.48
ESRRA P11474 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL17883261 0.84 RIPK1 (0.63) RIPK1ACKR3MIFGLAESRRA
SCHEMBL30009481 0.82 RIPK1 (0.63) RIPK1ACKR3MIFSMN1; SMN2NPC1
SCHEMBL21635351 0.81 RIPK1 (0.56) RIPK1ACKR3MIFESRRA
SCHEMBL28542983 0.81 RIPK1 (0.56) RIPK1ACKR3MIFESRRA
SCHEMBL73126 0.81 RIPK1 (0.62) RIPK1ACKR3MIFESRRAL3MBTL1
SCHEMBL17883253 0.77 RIPK1 (0.58) RIPK1ACKR3MIFNPC1ESRRA
SCHEMBL23525601 0.76 RIPK1 (0.46) RIPK1ACKR3MIF
SCHEMBL28535504 0.76 RIPK1 (0.46) RIPK1ACKR3MIF
SCHEMBL24784760 0.76 ESRRA (0.55) RIPK1NPC1GLAESRRAL3MBTL1
SCHEMBL23525611 0.75 RIPK1 (0.46) RIPK1ACKR3MIFESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738011-B2 Derivatives of 5-(hetero)arylpyrazol-3-carboxylic amide or 1-(hetero)aryltriazol-4-carboxylic amide useful for the treatment of inter alia cystic fibrosis PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-08-11 US disclosed
WO-2016105484-A1 DERIVATIVES OF 5-(HETERO)ARYLPYRAZOL-3-CARBOXYLIC AMIDE OR 1-(HETERO)ARYLTRIAZOL-4-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-30 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-10738011-B2 Derivatives of 5-(hetero)arylpyrazol-3-carboxylic amide or 1-(hetero)aryltriazol-4-carboxylic amide useful for the treatment of inter alia cystic fibrosis CFTR, SLC33A1, SLC26A4 RIPK1 2731/4885ACKR3 1560/4885MIF 4153/4885

“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.