SCHEMBL3523864

SCHEMBL3523864

CC(C)Cc1cn2ccncc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HRH4 Q9H3N8 1/20 0.40
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
ERCC5 P28715 1/20 0.32
RORC P51449 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31

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
SCHEMBL12223303 0.81 DRD2 (0.47) DRD2DRD4DRD3HRH4PDE3B
SCHEMBL12224868 0.78 DRD2 (0.45) DRD2DRD4DRD3HRH4PDE3B
SCHEMBL9966056 0.77 DRD2 (0.47) DRD2DRD4DRD3HRH4PDE3B
SCHEMBL17466611 0.77 DRD2 (0.47) DRD2DRD4DRD3HRH4PDE3B
SCHEMBL12196978 0.77 DRD2 (0.44) DRD2DRD4DRD3HRH4PDE3B
SCHEMBL12194597 0.75 NPC1 (0.54) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL7983485 0.75 DRD2 (0.45) DRD2DRD4DRD3HRH4PDE3B
SCHEMBL22652316 0.75 MET (0.39) DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL9570100 0.75 DRD2 (0.45) DRD2DRD4DRD3HRH4PDE3B
SCHEMBL1272547 0.74 DRD2 (0.42) DRD2DRD4DRD3HRH4PDE3B

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
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 DRD2 4831/4885DRD4 4738/4885DRD3 4766/4885

“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.