SCHEMBL25560594

SCHEMBL25560594

Cc1ncc(-c2nc(C(=O)O)ncc2C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 6/20 0.36
▸ NTRK1 P04629 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PDK1 Q15118 2/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ LDHA P00338 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32

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
SCHEMBL25551989 0.85 HCAR2 (0.38) KMOALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL25552092 0.83 KMO (0.40) KMONTRK1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL24572723 0.83 NTRK1 (0.45) KMONTRK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL25560591 0.82 PDK1 (0.36) KMONTRK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL25252045 0.81 KDM4E (0.45) KMOALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL25560273 0.79 KMO (0.40) KMOALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL25250193 0.79 KMO (0.46) KMOALDH1A1GABRA5
SCHEMBL25559336 0.79 KMO (0.46) KMOALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL32680058 0.79 KMO (0.46) KMOALDH1A1GABRA5
SCHEMBL25251870 0.77 KMO (0.57) KMOPDK1

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 KMO 3071/4885NTRK1 236/4885ALDH1A1 4554/4885

“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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