SCHEMBL4475417

SCHEMBL4475417

COc1ccc2c(c1)CCn1c-2cc(NCCN2CCCC2)nc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 8/20 0.56
HSD17B10 Q99714 8/20 0.56
HPGD P15428 6/20 0.56
TSHR P16473 6/20 0.56
MAPK1 P28482 6/20 0.56
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
GPR84 Q9NQS5 9/20 0.54
PDE4A P27815 1/20 0.52
KMT2A Q03164 1/20 0.49
ACHE P22303 1/20 0.49
CHRNA7 P36544 1/20 0.49
USP2 O75604 3/20 0.49
ALOX15 P16050 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL4465142 0.87 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4477608 0.87 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4464911 0.85 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4475381 0.83 GPR84 (0.67) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4471631 0.80 GPR84 (0.67) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4465371 0.77 GPR84 (0.55) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4462273 0.77 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4474696 0.76 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4473114 0.76 POLB (0.61) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL4465452 0.76 POLB (0.56) KDM4EALDH1A1HSD17B10HPGDTSHR

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 1095/4885ALDH1A1 3039/4885HSD17B10 4441/4885

“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.