SCHEMBL4466974

SCHEMBL4466974

COc1ccc2c(c1)CCn1c-2cc(Nc2ccccc2OC)nc1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.69
MEN1 O00255 4/20 0.69
ATM Q13315 1/20 0.69
POLB P06746 4/20 0.68
KDM4E B2RXH2 7/20 0.63
GPR84 Q9NQS5 3/20 0.57
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.57
HPGD P15428 4/20 0.57
HTT P42858 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
PDE4A P27815 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
CASP6 P55212 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
HSD17B10 Q99714 5/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 2/20 0.53

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
SCHEMBL8147403 0.90 KMT2A (0.71) KMT2AMEN1ATMPOLBKDM4E
SCHEMBL4461930 0.89 POLB (0.61) KMT2AMEN1ATMPOLBKDM4E
SCHEMBL4470475 0.89 KMT2A (0.77) KMT2AMEN1ATMPOLBKDM4E
SCHEMBL4474696 0.89 KDM4E (0.61) KMT2AMEN1ATMPOLBKDM4E
SCHEMBL4475700 0.89 KDM4E (0.59) KMT2AMEN1ATMPOLBKDM4E
SCHEMBL8136991 0.89 KMT2A (0.85) KMT2AMEN1ATMPOLBKDM4E
SCHEMBL4459144 0.87 POLB (0.58) KMT2AMEN1ATMPOLBKDM4E
SCHEMBL4462273 0.86 KDM4E (0.69) KMT2AMEN1ATMPOLBKDM4E
SCHEMBL4463481 0.85 POLB (0.62) KMT2AMEN1ATMPOLBKDM4E
SCHEMBL8138323 0.85 POLB (0.72) KMT2AMEN1ATMPOLBKDM4E

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 8 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
EP-1641766-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-05 EP claimed
WO-2005007092-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO 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 KMT2A 473/4885MEN1 2789/4885ATM 326/4885

“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.