SCHEMBL4475381

SCHEMBL4475381

COc1ccc(CNc2cc3n(c(=O)n2)CCc2cc(OC)ccc2-3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 11/20 0.67
PDE4A P27815 1/20 0.67
KDM4E B2RXH2 6/20 0.57
HSD17B10 Q99714 5/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 4/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 3/20 0.55
USP2 O75604 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
HKDC1 Q2TB90 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 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
SCHEMBL4471631 0.91 GPR84 (0.67) GPR84PDE4AKDM4EHSD17B10ALDH1A1
SCHEMBL16356954 0.88 GPR84 (0.58) GPR84PDE4AKDM4EHSD17B10ALDH1A1
SCHEMBL883526 0.87 GPR84 (0.55) GPR84PDE4AKDM4EHSD17B10ALDH1A1
SCHEMBL4477608 0.85 KDM4E (0.59) GPR84PDE4AKDM4EHSD17B10ALDH1A1
SCHEMBL4465142 0.85 KDM4E (0.59) GPR84PDE4AKDM4EHSD17B10ALDH1A1
SCHEMBL4464911 0.84 KDM4E (0.59) GPR84PDE4AKDM4EHSD17B10ALDH1A1
SCHEMBL4475417 0.83 KDM4E (0.56) GPR84PDE4AKDM4EHSD17B10ALDH1A1
SCHEMBL4465371 0.82 GPR84 (0.55) GPR84PDE4AKDM4EHSD17B10ALDH1A1
SCHEMBL8134020 0.80 GPR84 (1.00) GPR84PDE4AKDM4EHSD17B10ALDH1A1
SCHEMBL877184 0.80 GPR84 (0.51) GPR84PDE4AKDM4EHSD17B10ALDH1A1

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 GPR84 2674/4885PDE4A 1039/4885KDM4E 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.