SCHEMBL4477608

SCHEMBL4477608

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
HSD17B10 Q99714 5/20 0.59
ALDH1A1 P00352 5/20 0.59
HPGD P15428 5/20 0.59
MAPK1 P28482 3/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
GPR84 Q9NQS5 9/20 0.56
PDE4A P27815 1/20 0.54
KMT2A Q03164 3/20 0.52
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4465142 0.90 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4464911 0.88 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4475417 0.87 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4475381 0.85 GPR84 (0.67) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4471631 0.83 GPR84 (0.67) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4458547 0.80 GPR84 (0.62) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4465371 0.80 GPR84 (0.55) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4462273 0.79 KDM4E (0.69) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4473114 0.78 POLB (0.61) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4474696 0.78 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1095/4885HSD17B10 4441/4885ALDH1A1 3039/4885

“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.