SCHEMBL4518522

SCHEMBL4518522

[CH2]c1ccc(C(C)OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
ABCB11 O95342 1/20 0.31
SLC2A1 P11166 1/20 0.30

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
SCHEMBL1338710 0.89 AKR1C2 (0.42) AKR1C2AKR1C1CYP11B1CYP11B2PRKAB2
SCHEMBL8750439 0.81 IDO1 (0.43) AKR1C2AKR1C1
SCHEMBL18905322 0.79 AKR1C2 (0.38) AKR1C2AKR1C1CYP11B1CYP11B2PRKAB2
SCHEMBL14615251 0.79 CHRNA7 (0.42) AKR1C2AKR1C1
SCHEMBL7615009 0.79 CHRNA7 (0.42) AKR1C2AKR1C1
SCHEMBL10417418 0.77 AKR1C2 (0.37) AKR1C2AKR1C1CYP11B1CYP11B2PRKAB2
SCHEMBL17771762 0.77 ADRB2 (0.52) AKR1C2AKR1C1
SCHEMBL16177721 0.77 CYP2A6 (0.40) AKR1C2AKR1C1
SCHEMBL4921245 0.77 TDP1 (0.44) AKR1C2AKR1C1PRKAB2PRKAG1PRKAA2
SCHEMBL2213997 0.77 AKR1C2 (0.37) AKR1C2AKR1C1CYP11B1CYP11B2PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963319-B1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-04-11 EP disclosed
US-7618982-B2 Heteroarylpyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-17 US disclosed
EP-1660085-B1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-10-15 EP disclosed
EP-1660475-B1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP disclosed
US-7279575-B2 Pyrimidylpyrrole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2007-10-09 US disclosed
WO-2007068728-A2 N-SUBSTITUTED PYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-06-21 WO disclosed
US-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 US disclosed
US-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 US disclosed
EP-1660085-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 EP disclosed
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 US disclosed
US-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 US disclosed
WO-2005013986-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 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 (4 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-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors MAP3K6, MAP3K5, MAP4K2 AKR1C2 2031/4885AKR1C1 2048/4885CYP11B1 2575/4885
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors TYMP, DTYMK, DCK AKR1C2 1689/4885AKR1C1 1727/4885CYP11B1 2546/4885
US-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors MAP3K1, MAP3K19, MAP3K3 AKR1C2 1846/4885AKR1C1 1603/4885CYP11B1 2336/4885
US-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors CDK2, MAP3K19, MAP3K7 AKR1C2 1778/4885AKR1C1 1373/4885CYP11B1 2408/4885

“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.