SCHEMBL9907482

SCHEMBL9907482

COC(=O)c1ccc2c(Br)cnc(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
NOTUM Q6P988 1/20 0.46
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LCK P06239 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CSNK2A1 P68400 2/20 0.41
ALOX15 P16050 2/20 0.41
KIF11 P52732 2/20 0.41

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
SCHEMBL9102332 0.85 CA12 (0.46) DYRK1ANOTUMMAPK1KDM4EALDH1A1
SCHEMBL9907434 0.82 CSNK2A1 (0.47) DYRK1AMAPK1KDM4EALDH1A1HPGD
SCHEMBL9907627 0.82 DYRK1A (0.47) DYRK1ANOTUMMAPK1KDM4EALDH1A1
SCHEMBL9907671 0.79 NOTUM (0.52) DYRK1ANOTUMMAPK1KDM4EALDH1A1
SCHEMBL30864274 0.78 CA1 (0.50) DYRK1AMAPK1KDM4EALDH1A1HPGD
SCHEMBL9907625 0.77 HTR5A (0.51) NOTUMKDM4EALDH1A1L3MBTL1ALOX15
SCHEMBL9907774 0.77 HTR5A (0.51) NOTUMMAPK1LCKCSNK2A1ATM
SCHEMBL9102359 0.77 HTR5A (0.51) NOTUMMAPK1ALDH1A1HPGDLCK
SCHEMBL9907722 0.76 HTR5A (0.52) NOTUMKDM4EALDH1A1L3MBTL1KIF11
SCHEMBL9907723 0.76 HTR5A (0.49) NOTUMKDM4EALDH1A1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E DYRK1A 3985/4885NOTUM 1086/4885MAPK1 3555/4885

“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.