SCHEMBL29708341

SCHEMBL29708341

CC1(C)OCC(CCNc2nc(C(=O)O)cs2)O1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 2/20 0.38
▸ TMEM97 Q5BJF2 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TBXAS1 P24557 2/20 0.33
▸ PLA2G4A P47712 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ CASP8 Q14790 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL29598635 0.90 SMN1; SMN2 (0.37) L3MBTL1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL29598733 0.80 SMN1; SMN2 (0.38) L3MBTL1POLBSMN1; SMN2CA2NPC1
SCHEMBL30888336 0.79 SMN1; SMN2 (0.38) L3MBTL1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL30888305 0.75 SMN1; SMN2 (0.36) L3MBTL1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL29235539 0.71 SMN1; SMN2 (0.39) L3MBTL1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL25083597 0.68 L3MBTL1 (0.62) L3MBTL1POLBSMN1; SMN2PLA2G4ANPC1
SCHEMBL10759260 0.68 TMEM97 (0.41) L3MBTL1POLBTMEM97SIGMAR1SMN1; SMN2
SCHEMBL10759256 0.68 TMEM97 (0.41) L3MBTL1POLBTMEM97SIGMAR1SMN1; SMN2
SCHEMBL10278061 0.68 L3MBTL1 (0.54) L3MBTL1POLBSMN1; SMN2PLA2G4ACA2
SCHEMBL725129 0.68 PLA2G4A (0.57) L3MBTL1POLBPLA2G4ACA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003988-B1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS SERVIER LAB (FR) 2026-05-20 — — EP disclosed
US-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2022-09-15 — — US disclosed
EP-4003988-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2022-06-01 — — EP 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-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS CASP3, BAX, CASP2 L3MBTL1 3751/4885POLB 1596/4885TMEM97 1855/4885

“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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