SCHEMBL730767

SCHEMBL730767

[c]1ccc2c(-c3ccccc3)cn(-c3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.50
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
GSK3B P49841 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR6 P50406 1/20 0.39
ESR1 P03372 2/20 0.38
ESRRA P11474 2/20 0.38
ESR2 Q92731 2/20 0.38
SRC P12931 4/20 0.36
EGFR P00533 2/20 0.36
ABL1 P00519 1/20 0.36
CDK1 P06493 1/20 0.36
KDR P35968 1/20 0.36
ABL2 P42684 1/20 0.36
PTGER1 P34995 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL733151 0.87 DYRK1A (0.47) DYRK1AKDM4EPOLBCTDSP1GSK3B
SCHEMBL10325497 0.82 KDM4E (0.51) DYRK1AKDM4EPOLBCTDSP1GSK3B
SCHEMBL1883807 0.79 KDM4E (0.58) DYRK1AKDM4EPOLBCTDSP1GSK3B
SCHEMBL731028 0.79 DYRK1A (0.32) DYRK1AKDM4EPOLBCTDSP1
SCHEMBL695819 0.79 BRD4 (0.49) DYRK1AKDM4EGSK3BHTR6L3MBTL1
SCHEMBL13335069 0.74 KDM4E (0.57) DYRK1AKDM4EPOLBCTDSP1GSK3B
SCHEMBL16720863 0.73 NR4A2 (0.49) KDM4EPOLBKCNH2L3MBTL1BRD4
SCHEMBL13335074 0.71 KDM4E (0.54) DYRK1AKDM4EPOLBCTDSP1GSK3B
SCHEMBL13335089 0.70 KDM4E (0.57) DYRK1AKDM4EPOLBCTDSP1GSK3B
SCHEMBL18552223 0.70 DYRK1A (0.49) DYRK1AKDM4EPOLBCTDSP1GSK3B

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
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 DYRK1A 3719/4885KDM4E 3445/4885POLB 3207/4885

“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.