SCHEMBL25560591

SCHEMBL25560591

CCc1cnc(C(=O)O)nc1-c1cnc(C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 5/20 0.36
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GABRG1 Q8N1C3 1/20 0.34
▸ GABRG3 Q99928 1/20 0.34
▸ GABRQ Q9UN88 1/20 0.34
▸ NTRK1 P04629 2/20 0.33
▸ KMO O15229 5/20 0.33
▸ PDK2 Q15119 2/20 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
SCHEMBL25560594 0.82 KMO (0.36) PDK1GABRPGABRDGABRA1GABRB1
SCHEMBL25552092 0.79 KMO (0.40) NTRK1KMOSMN1; SMN2ALDH1A1MAPT
SCHEMBL25560552 0.79 NOS3 (0.33) PDK1NOS3NOS1NOS2LMNA
SCHEMBL25559540 0.76 PPARG (0.41) PTGDR2
SCHEMBL25560575 0.73 NOS3 (0.35) PDK1NOS3NOS1NOS2ALDH1A1
SCHEMBL25561260 0.71 TGFBR1 (0.46) —
SCHEMBL25551902 0.70 DHODH (0.40) NTRK1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25565952 0.69 BAZ2B (0.44) GABRA5NTRK1SMN1; SMN2RAB9ANPC1
SCHEMBL25551989 0.68 HCAR2 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24572723 0.66 NTRK1 (0.45) NTRK1KMOSMN1; SMN2NTRK3ALDH1A1

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 PDK1 845/4885GABRP 1431/4885GABRD 3027/4885

“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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