SCHEMBL4872984

SCHEMBL4872984

CCOC(=O)c1cnn(-c2ccc(F)cc2F)c1N

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
TSHR P16473 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.57
NPC1 O15118 5/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 6/20 0.54
LMNA P02545 2/20 0.53
MAPK14 Q16539 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL31117130 1.00 RAB9A (0.59) RAB9AALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL31260788 0.89 RAB9A (0.58) RAB9AALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL31261030 0.88 RAB9A (0.57) RAB9AALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL17844081 0.88 RAB9A (0.59) RAB9AALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL25341710 0.87 RAB9A (0.56) RAB9AALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL31116973 0.85 ALDH1A1 (0.69) RAB9AALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL3520425 0.85 ALDH1A1 (0.69) RAB9AALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL30038196 0.84 MAPK14 (0.54) ALDH1A1SMN1; SMN2KMT2ATP53MAPK14
SCHEMBL20162796 0.84 MAPK14 (0.54) ALDH1A1SMN1; SMN2KMT2ATP53MAPK14
SCHEMBL25342717 0.83 ALDH1A1 (0.43) RAB9AALDH1A1HPGDTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
EP-4739670-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-13 EP disclosed
US-20250170117-A1 MODULATORS OF ACKR3 AND USES THEREOF INTERAX BIOTECH AG (CH) 2025-05-29 US disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed
WO-2025012057-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed
EP-4486739-A1 MODULATORS OF ACKR3 AND USES THEREOF InterAx Biotech AG (CH) 2025-01-08 EP disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023166190-A1 MODULATORS OF ACKR3 AND USES THEREOF INTERAX BIOTECH AG (CH) 2023-09-07 WO disclosed
WO-2023166190-A1 MODULATORS OF ACKR3 AND USES THEREOF INTERAX BIOTECH AG (CH) 2023-09-07 WO disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
US-20080207725-A1 Phenyl-Pyrazole Derivatives as Non-Steroidal Glucocorticoid Receptor Ligands GLAXO GROUP LIMITED, A CORPORATION 2008-08-28 US disclosed
US-20080207725-A1 Phenyl-Pyrazole Derivatives as Non-Steroidal Glucocorticoid Receptor Ligands GLAXO GROUP LIMITED, A CORPORATION 2008-08-28 US disclosed
EP-1896438-A1 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-03-12 EP disclosed
WO-2007000334-A1 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-01-04 WO disclosed
WO-2007000334-A1 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-01-04 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 (2 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-20250170117-A1 MODULATORS OF ACKR3 AND USES THEREOF ACKR3, PROKR2, PROKR1 RAB9A 1031/4885ALDH1A1 3187/4885HPGD 1401/4885
US-20080207725-A1 Phenyl-Pyrazole Derivatives as Non-Steroidal Glucocorticoid Receptor Ligands NR3C1, NR3C2, NR5A1 RAB9A 4185/4885ALDH1A1 1520/4885HPGD 811/4885

“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.