SCHEMBL24873408

SCHEMBL24873408

Cc1cccnc1C(C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
NPC1 O15118 2/20 0.37
PLAU P00749 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2D6 P10635 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
FDPS P14324 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
METAP2 P50579 1/20 0.34
IDH1 O75874 1/20 0.34
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 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
SCHEMBL827728 0.84 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL23343844 0.80 NOS3 (0.46) NOS3NOS1NOS2NPC1PLAU
SCHEMBL26271653 0.79 NOS3 (0.47) NOS3NOS1NOS2NPC1PLAU
SCHEMBL2084135 0.78 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL20482609 0.78 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL30140878 0.78 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL506508 0.78 NOS3 (0.45) NOS3NOS1NOS2NPC1PLAU
SCHEMBL23747533 0.78 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL29857523 0.78 NOS3 (0.45) NOS3NOS1NOS2NPC1PLAU
SCHEMBL507147 0.78 NOS3 (0.45) NOS3NOS1NOS2NPC1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921317-B1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AG (DE) 2023-08-02 EP disclosed
US-20230009608-A1 GRK2 INHIBITORS AND USES THEREOF SONATA THERAPEUTICS, INC. 2023-01-12 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-20230009608-A1 GRK2 INHIBITORS AND USES THEREOF GRK2, GRK3, GRK1 NOS3 2408/4885NOS1 3247/4885NOS2 2712/4885

“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.