SCHEMBL24992249

SCHEMBL24992249

CCOC(=O)c1nn(CC(O)c2cnn(C)c2)c(C(=O)OCC)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA2A P29274 4/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA1 P30542 3/20 0.37
NPC1 O15118 8/20 0.36
RAB9A P51151 7/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
PDE4A P27815 2/20 0.33

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
SCHEMBL19253526 0.78 NPSR1 (0.39) CYP1A2CYP2D6CYP2C19NPSR1ADORA2A
SCHEMBL28971658 0.78 LMNA (0.43) CYP1A2CYP2C19ADORA3NPC1RAB9A
SCHEMBL358469 0.68 CYP2C9 (0.47) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL19300141 0.67 NPSR1 (0.38) CYP1A2CYP2D6CYP2C19NPSR1ADORA2A
SCHEMBL19253406 0.67 NPC1 (0.39) CYP1A2CYP2D6CYP2C19NPSR1ADORA2A
SCHEMBL15229822 0.67 PDE4A (0.40) ADORA2AADORA3ADORA1NPC1RAB9A
SCHEMBL17007856 0.66 ALDH1A1 (0.36) CYP1A2NPSR1ADORA2AADORA3ADORA1
SCHEMBL15230894 0.64 MAPK1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL24060877 0.64 NPC1 (0.38) CYP1A2CYP2D6CYP2C19NPSR1ADORA2A
SCHEMBL3676305 0.64 ADORA2A (0.54) CYP1A2CYP2D6CYP2C19NPSR1ADORA2A

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-20230045252-A1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES PFIZER INC. (US) 2023-02-09 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-20230045252-A1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES CBR3, CNR1, CCR6 CYP1A2 1267/4885CYP2D6 20/4885CYP2C19 1151/4885

“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.