SCHEMBL25559613

SCHEMBL25559613

COC(=O)c1ncc(C)c(-c2ccncc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.43
▸ ADORA2B P29275 5/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ ADORA1 P30542 1/20 0.40
▸ TGFBR1 P36897 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CTSA P10619 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ FGFR1 P11362 1/20 0.36

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
SCHEMBL25244771 0.85 DHODH (0.47) DHODHADORA2BCYP3A4ADORA2ACYP2C19
SCHEMBL25552011 0.84 MBNL1 (0.43) DHODHADORA2BADORA2AADORA1ALDH1A1
SCHEMBL30036976 0.84 MBNL1 (0.43) DHODHADORA2BADORA2AADORA1ALDH1A1
SCHEMBL30036962 0.80 CTSA (0.39) ALDH1A1CTSA
SCHEMBL25551949 0.80 CTSA (0.39) ALDH1A1CTSA
SCHEMBL30037120 0.77 CTSA (0.44) CTSA
SCHEMBL25552037 0.77 CTSA (0.44) CTSA
SCHEMBL25559966 0.76 NPC1 (0.48) DHODHALDH1A1L3MBTL1
SCHEMBL30037613 0.76 CDC7 (0.40) CYP3A4ALDH1A1KDM4EGLAGAA
SCHEMBL25551967 0.76 CDC7 (0.40) CYP3A4ALDH1A1KDM4EGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-25 — — 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 (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-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 DHODH 4384/4885ADORA2B 4277/4885CYP3A4 4773/4885

“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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