SCHEMBL4472009

SCHEMBL4472009

COc1ccc2c(c1)CCn1c-2cc(Nc2cccc([N+](=O)[O-])c2)nc1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.58
MEN1 O00255 4/20 0.58
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.56
POLB P06746 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
GPR84 Q9NQS5 7/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CASP6 P55212 1/20 0.49

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
SCHEMBL4462273 0.89 KDM4E (0.69) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL4467293 0.85 KMT2A (0.62) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL4461807 0.83 KMT2A (0.59) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL4467288 0.82 KMT2A (0.58) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL4473114 0.80 POLB (0.61) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL4474696 0.80 KDM4E (0.61) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL4469292 0.79 KDM4E (0.60) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL13920594 0.79 KMT2A (0.54) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL4472585 0.78 KMT2A (0.53) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL4466974 0.78 KMT2A (0.69) KMT2AMEN1KDM4EMAPTPOLB

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 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
EP-1641766-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-05 EP disclosed
WO-2005007092-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 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 (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 KMT2A 473/4885MEN1 2789/4885KDM4E 1095/4885

“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.