SCHEMBL8277609

SCHEMBL8277609

CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]nnc32)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
PARP14 Q460N5 3/20 0.34
HRH4 Q9H3N8 1/20 0.33
MAPK14 Q16539 3/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IKBKB O14920 1/20 0.31
XIAP P98170 1/20 0.31
ROCK2 O75116 1/20 0.31
MMP2 P08253 1/20 0.30
MMP13 P45452 1/20 0.30
DPP4 P27487 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8277561 0.86 DYRK1A (0.35) DYRK1APARP14HRH4MAPK14KDM4E
SCHEMBL8277535 0.85 DYRK1A (0.35) DYRK1APARP14HRH4MAPK14KDM4E
SCHEMBL8277556 0.84 DYRK1A (0.34) DYRK1APARP14HRH4MAPK14KDM4E
SCHEMBL8278515 0.84 TOP2A (0.37) DYRK1APARP14MAPK14KDM4ENPC1
SCHEMBL8277555 0.84 BCL6 (0.36) DYRK1APARP14HRH4MAPK14KDM4E
SCHEMBL8277543 0.84 DYRK1A (0.34) DYRK1APARP14HRH4MAPK14KDM4E
Hydrochloric Acid SCHEMBL6117998 0.83 TOP2A (0.36) DYRK1APARP14MAPK14KDM4ENPC1
SCHEMBL8474917 0.81 MAPK1 (0.40) DYRK1AKDM4ENPC1ALDH1A1RAB9A
SCHEMBL8277671 0.79 XIAP (0.38) DYRK1APARP14HRH4MAPK14XIAP
SCHEMBL8277672 0.79 XIAP (0.38) DYRK1APARP14HRH4MAPK14XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 DYRK1A 4569/4885PARP14 272/4885HRH4 1041/4885

“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.