SCHEMBL7072940

SCHEMBL7072940

CC(O)c1ccccc1NCCOc1ccc2c(c1)[nH]c1ccc(N)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.35
ADRB2 P07550 2/20 0.34
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34
MAOA P21397 2/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 3/20 0.33
DYRK1A Q13627 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
PARP1 P09874 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6912027 0.90 KIF11 (0.42) KIF11ADRB2KMT2AMEN1KDM4E
SCHEMBL6912324 0.90 KIF11 (0.42) KIF11ADRB2KMT2AMEN1KDM4E
SCHEMBL6905934 0.90 KIF11 (0.42) KIF11ADRB2KMT2AMEN1KDM4E
SCHEMBL7070546 0.84 KDM4E (0.50) KIF11MAOAKMT2AKDM4EALDH1A1
SCHEMBL7072937 0.81 KIF11 (0.36) KIF11EGFRIGF1RMAOAKDM4E
SCHEMBL7070293 0.80 ADRB2 (0.43) ADRB2KMT2AKDM4EMAPTMAPK1
SCHEMBL7980852 0.78 MAPT (0.40) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7977148 0.78 MAPT (0.40) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7980653 0.78 MAPT (0.40) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7160495 0.78 ADRB2 (0.31) ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP disclosed
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 US disclosed
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent SMITHKLINE BEECHAM P.L.C. 2003-04-17 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 (2 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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 KIF11 4828/4885ADRB2 14/4885EGFR 1053/4885
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent ADRB1, ADRB2, ADRB3 KIF11 4521/4885ADRB2 2/4885EGFR 4165/4885

“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.