SCHEMBL7745210

SCHEMBL7745210

CC(C)(C)N[C@@H](CO)Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.44
ACE P12821 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
IRAK1 P51617 1/20 0.44
PRKX P51817 1/20 0.44
LIMK1 P53667 1/20 0.44
PRKG2 Q13237 1/20 0.44
ROCK1 Q13464 1/20 0.44
PRKG1 Q13976 1/20 0.44
PKN2 Q16513 1/20 0.44
HIPK4 Q8NE63 1/20 0.44
AURKB Q96GD4 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC6A4 P31645 2/20 0.41
KMT2A Q03164 2/20 0.40

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
SCHEMBL10245188 0.82 MAPK1 (0.53) ROCK2PRKACAIRAK1PRKXROCK1
SCHEMBL7745276 0.82 MAPK1 (0.53) ROCK2PRKACAIRAK1PRKXROCK1
SCHEMBL8254401 0.82 MAPK1 (0.53) ROCK2PRKACAIRAK1PRKXROCK1
SCHEMBL7696707 0.81 PNMT (0.50) SLC6A2SLC6A3SLC6A4HRH1CHRNA4
SCHEMBL7693446 0.81 PNMT (0.50) SLC6A2SLC6A3SLC6A4HRH1CHRNA4
SCHEMBL7692070 0.81 PNMT (0.50) SLC6A2SLC6A3SLC6A4HRH1CHRNA4
SCHEMBL26697417 0.80 SLC6A2 (0.47) MMEACEROCK2PRKACARPS6KB1
SCHEMBL13649762 0.80 SLC6A2 (0.47) MMEACEROCK2PRKACARPS6KB1
SCHEMBL26219875 0.80 SLC6A2 (0.47) MMEACEROCK2PRKACARPS6KB1
Hydrochloric Acid SCHEMBL7693434 0.80 PNMT (0.49) SLC6A2SLC6A3SLC6A4HRH1CHRNA4

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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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 (3 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A MME 3898/4885ACE 1786/4885ROCK2 3742/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 MME 4661/4885ACE 1485/4885ROCK2 2536/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 MME 2134/4885ACE 1898/4885ROCK2 2347/4885

“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.