SCHEMBL5113231

SCHEMBL5113231

COc1cc2c(cc1OC)-c1c/c(=N/c3c(C)cc(C)cc3C)[nH]c(=O)n1CC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.66
MAPK1 P28482 8/20 0.66
MAPT P10636 4/20 0.66
CYP3A4 P08684 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
PDE4A P27815 2/20 0.66
PDE4B Q07343 2/20 0.66
PDE4C Q08493 2/20 0.66
PDE4D Q08499 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ABCC4 O15439 1/20 0.66
ABCC5 O15440 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
NFKB1 P19838 1/20 0.66
CYP2C19 P33261 1/20 0.66
THPO P40225 1/20 0.66
HIF1A Q16665 1/20 0.66
KMT2A Q03164 5/20 0.65
LMNA P02545 4/20 0.65

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
SCHEMBL31619806 1.00 TSHR (0.66) TSHRMAPK1MAPTCYP3A4TDP1
SCHEMBL11967263 1.00 TSHR (0.66) TSHRMAPK1MAPTCYP3A4TDP1
SCHEMBL5113232 1.00 TSHR (0.66) TSHRMAPK1MAPTCYP3A4TDP1
SCHEMBL31620968 0.94 TSHR (0.59) TSHRMAPK1MAPTCYP3A4TDP1
SCHEMBL31632614 0.94 TSHR (0.59) TSHRMAPK1MAPTCYP3A4TDP1
SCHEMBL21621325 0.93 TSHR (0.59) TSHRMAPK1MAPTCYP3A4TDP1
SCHEMBL31620983 0.93 TSHR (0.57) TSHRMAPK1MAPTCYP3A4TDP1
SCHEMBL31620981 0.92 TSHR (0.56) TSHRMAPK1MAPTCYP3A4TDP1
SCHEMBL25773363 0.92 TSHR (0.56) TSHRMAPK1MAPTCYP3A4TDP1
SCHEMBL25773255 0.90 TSHR (0.54) TSHRMAPK1MAPTCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710998-B2 Compound and process VERONA PHARMA PLC (GB) 2020-07-14 US disclosed
US-20190330206-A1 NEW COMPOUND AND PROCESS VERONA PHARMA LIMITED (GB) 2019-10-31 US disclosed
EP-3490988-B1 NEW COMPOUND AND PROCESS VERONA PHARMA PLC (GB) 2019-08-28 EP disclosed
US-20120302533-A1 DERIVATIVES OF PYRIMIDO [6,1-A] ISOQUINOLIN-4-ONE VERONA PHARMA PLC (GB) 2012-11-29 US disclosed
US-8242127-B2 INHIBITORS OF PHOSPHODIESTERASE (PDE) ISOENZYMES; USEFUL FOR TREATMENT OF RESPIRATORY DISORDERS SUCH AS ASTHMA; chronic obstructive pulmonary disease (COPD); 9,10-Dimethoxy-2-(2,4,6-trimethylphenylimino)-3-(N-carbamoyl-2-aminoethyl)-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-4-one VERONA PHARMA PLC (GB) 2012-08-14 US disclosed
US-20080206163-A1 Derivatives of pyrimido[6, 1-A]isoquinolin-4-one VERONA PHARMA PLC (GB) 2008-08-28 US disclosed
US-7378424-B2 Derivatives of pyrimido[6, 1-A]isoquinolin-4-one VERONA PHARMA PLC (GB) 2008-05-27 US disclosed
US-7105663-B2 Derivatives of pyrimido[6,1-a]isoquinolin-4-one RHINOPHARMA LIMITED (CA) 2006-09-12 US disclosed
US-6794391-B2 INHIBITORS OF PHOSPHODIESTERASE (PDE) ISOENZYMES; USEFUL FOR TREATMENT OF RESPIRATORY DISORDERS SUCH AS ASTHMA. VERNALIS LIMITED (GB) 2004-09-21 US disclosed
US-20040176353-A1 Derivatives of pyrimido[6,1-a]isoquinolin-4-one VERNALIS LIMITED 2004-09-09 US disclosed
US-20040171828-A1 Derivatives of pyrimido[6,1-a]isoquinolin-4-one VERNALIS LIMITED 2004-09-02 US disclosed
EP-1165558-B1 DERIVATIVES OF PYRIMIDO[6,1-A]ISOQUINOLIN-4-ONE VERNALIS LTD (GB) 2003-09-24 EP disclosed
US-20030119813-A1 Derivatives of pyrimido[6,1-a]isoquinolin-4-one VERNALIS LIMITED (GB) 2003-06-26 US disclosed
US-20030036542-A1 Derivatives of pyrimido[6.1-a]isoquinolin-4-one VERONA PHARMA PLC (GB) 2003-02-20 US disclosed
EP-1165558-A1 DERIVATIVES OF PYRIMIDO[6,1-A]ISOQUINOLIN-4-ONE Vernalis Limited (GB) 2002-01-02 EP disclosed
WO-2000058308-A1 DERIVATIVES OF PYRIMIDO[6,1-a]ISOQUINOLIN-4-ONE VERNALIS LIMITED (GB) 2000-10-05 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 (8 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-20120302533-A1 DERIVATIVES OF PYRIMIDO [6,1-A] ISOQUINOLIN-4-ONE PDE4A, PDE2A, PDE12 TSHR 4570/4885MAPK1 2113/4885MAPT 4655/4885
US-20030036542-A1 Derivatives of pyrimido[6.1-a]isoquinolin-4-one CXCR6, HRH1, HRH2 TSHR 483/4885MAPK1 2115/4885MAPT 4791/4885
US-20030119813-A1 Derivatives of pyrimido[6,1-a]isoquinolin-4-one CCR6, CXCR6, HRH1 TSHR 1084/4885MAPK1 2175/4885MAPT 4711/4885
US-20190330206-A1 NEW COMPOUND AND PROCESS RPL4, EIF5B, RPLP2 TSHR 4279/4885MAPK1 2255/4885MAPT 3273/4885
US-20040176353-A1 Derivatives of pyrimido[6,1-a]isoquinolin-4-one TAS1R2, TAS2R1, TAS2R7 TSHR 665/4885MAPK1 1118/4885MAPT 4517/4885
US-10710998-B2 Compound and process RPL4, EIF5B, RPLP1 TSHR 4409/4885MAPK1 2487/4885MAPT 3018/4885
US-20040171828-A1 Derivatives of pyrimido[6,1-a]isoquinolin-4-one TAS2R1, TAS2R7, TAS2R50 TSHR 700/4885MAPK1 1333/4885MAPT 4637/4885
US-20080206163-A1 Derivatives of pyrimido[6, 1-A]isoquinolin-4-one HRH2, HRH4, TAS2R3 TSHR 368/4885MAPK1 1893/4885MAPT 4699/4885

“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.