SCHEMBL768730

SCHEMBL768730

C1=C(c2ncc[nH]2)c2ccccc2OC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.42
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
CSNK1A1 P48729 1/20 0.40
TYRO3 Q06418 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRA2A P08913 4/20 0.37
IDO1 P14902 1/20 0.37
ADRA1A P35348 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
F2RL1 P55085 1/20 0.33
MAOB P27338 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
SCHEMBL767353 0.80 ADRA2A (0.40) ADRA2AADRA1AF2RL1
SCHEMBL767558 0.80 ADRA2A (0.57) NISCHMTORADKKMT2AMEN1
SCHEMBL768767 0.80 ADRA2A (0.45) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL769329 0.77 ADRA2A (0.57) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL769277 0.77 ADRA2A (0.37) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL769047 0.77 ADRA2A (0.40) KMT2AMEN1ALDH1A1ADRA2AADRA1A
SCHEMBL768837 0.74 ADRA2A (0.40) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL15150123 0.73 NISCH (0.46) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL27336609 0.73 KDM4E (0.42) TYRO3KMT2AALDH1A1TSHRMAOB
SCHEMBL768219 0.72 NISCH (0.41) NISCHMTORADKCSNK1A1TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
CN-101374517-A Use of 2-imidazoles for the treatment of CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 NISCH 362/4885MTOR 717/4885ADK 344/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 NISCH 362/4885MTOR 779/4885ADK 392/4885

“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.