SCHEMBL731028

SCHEMBL731028

Brc1cn(-c2ccccc2)c2c[c]ccc12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
NR4A2 P43354 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
SCHEMBL730767 0.79 DYRK1A (0.50) DYRK1AKDM4EPOLBCTDSP1
SCHEMBL15366279 0.78 KDM4E (0.47) KDM4EPOLBCTDSP1NR4A2
SCHEMBL29355504 0.78 KDM4E (0.47) KDM4EPOLBCTDSP1NR4A2
SCHEMBL16720863 0.74 NR4A2 (0.49) KDM4EPOLBNR4A2
SCHEMBL974676 0.71 L3MBTL1 (0.56) KDM4E
SCHEMBL695359 0.70 SCN2B (0.42) DYRK1AKDM4EPOLBCTDSP1NR4A2
SCHEMBL732879 0.70 KDM4E (0.41) DYRK1AKDM4EPOLBCTDSP1NR4A2
SCHEMBL694065 0.70 ALDH1A1 (0.36) DYRK1AKDM4EPOLBCTDSP1NR4A2
SCHEMBL15466611 0.69 HTR7 (0.49) KDM4EPOLBCTDSP1NR4A2
SCHEMBL733151 0.69 DYRK1A (0.47) DYRK1AKDM4EPOLBCTDSP1NR4A2

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-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
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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-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.