SCHEMBL6589223

SCHEMBL6589223

c1ccc(C2CCC(Cc3c[nH]cn3)c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
CDK8 P49336 1/20 0.35
CDK9 P50750 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL6587917 0.89 SIGMAR1 (0.34)
SCHEMBL7040933 0.82 CYP11B2 (0.32)
SCHEMBL6590178 0.79 JAK2 (0.33)
SCHEMBL6590715 0.79 HTR2A (0.37)
SCHEMBL7041893 0.78 HTR6 (0.50)
SCHEMBL6594865 0.78 PDGFRA (0.40) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL6594319 0.77 DDB1 (0.34) KMT2A
SCHEMBL6588473 0.77 GID4 (0.37) MEN1KMT2A
SCHEMBL6587991 0.76 DRD1 (0.38)
SCHEMBL6589282 0.76 HTR2A (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261588-B1 IMIDAZOLE COMPOUNDS AS Alpha2-ADRENOCEPTORS ANTAGONISTS ORION CORP (FI) 2004-10-20 EP disclosed
WO-2001051472-A9 NEW IMIDAZOLE DERIVATIVES ORION CORP (FI) 2003-01-23 WO disclosed
EP-1261588-A1 NEW IMIDAZOLE DERIVATIVES ORION CORPORATION (FI) 2002-12-04 EP disclosed
US-6388090-B2 IMIDAZOLE DERIVATIVES CONTAINING BICYCLIC AROMATIC OR AN HETEROCYCLIC RING FUSED WITH BENZENE EXHIBIT AFFINITY FOR ALPHA2 ADRENOCEPTORS SO TREATS THE DISEASE AFFECTED BY ALPHA2 ADRENOCEPTORS, E.G. NUROLOGICAL, PSYCHIATRIC OR COGNITION ORION CORPORATION (FI) 2002-05-14 US disclosed
US-20010056109-A1 Imidazole derivatives ORION CORPORATION (FI) 2001-12-27 US disclosed
WO-2001051472-A1 NEW IMIDAZOLE DERIVATIVES ORION CORPORATION (FI) 2001-07-19 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 (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-20010056109-A1 Imidazole derivatives ADRB2, ADRB1, ADRA1D PDGFRA 889/4885PRKACA 2590/4885KDR 613/4885

“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.