SCHEMBL4462273

SCHEMBL4462273

COc1cccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)ccc2-3)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
MAPT P10636 3/20 0.69
POLB P06746 3/20 0.69
ALDH1A1 P00352 2/20 0.69
HPGD P15428 2/20 0.69
HTT P42858 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
KMT2A Q03164 8/20 0.66
MEN1 O00255 4/20 0.66
GPR84 Q9NQS5 7/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CASP6 P55212 1/20 0.55

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
SCHEMBL4467293 0.92 KMT2A (0.62) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL4461807 0.90 KMT2A (0.59) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL4467288 0.89 KMT2A (0.58) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL4472009 0.89 KMT2A (0.58) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL4474696 0.89 KDM4E (0.61) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL4473114 0.87 POLB (0.61) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL4466974 0.86 KMT2A (0.69) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL4469292 0.86 KDM4E (0.60) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL4463481 0.85 POLB (0.62) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL13920594 0.85 KMT2A (0.54) KDM4EMAPTPOLBALDH1A1HPGD

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
US-7501512-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-03-10 US claimed
US-20060178384-A1 2-(2,6-dimethoxy-phenylamino)-9-methoxy-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one; 3-bromo-N-[3-(9-methoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-ylamino)-phenyl]-benzamide; kinase inhibitor; neutropenia; cytopenia; anemias SMITHKLINE BEECHAM CORPORATION 2006-08-10 US claimed
US-7501512-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-03-10 US disclosed
US-7501512-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-03-10 US disclosed
US-7501512-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-03-10 US disclosed
US-20060178384-A1 2-(2,6-dimethoxy-phenylamino)-9-methoxy-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one; 3-bromo-N-[3-(9-methoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-ylamino)-phenyl]-benzamide; kinase inhibitor; neutropenia; cytopenia; anemias SMITHKLINE BEECHAM CORPORATION 2006-08-10 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 (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-20060178384-A1 2-(2,6-dimethoxy-phenylamino)-9-methoxy-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one; 3-bromo-N-[3-(9-methoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-ylamino)-phenyl]-benzamide; kinase inhibitor; neutropenia; cytopenia; anemias ABL1, MAP3K6, MAP4K2 KDM4E 1095/4885MAPT 4561/4885POLB 2380/4885

“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.