SCHEMBL6128202

SCHEMBL6128202

COc1ccc(C(N)=O)cc1Nc1nc2c(ccc3cnccc32)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.41
CSNK2A1 P68400 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ALPL P05186 1/20 0.39
PIK3CG P48736 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 3/20 0.38
ABL1 P00519 3/20 0.38
BCR P11274 3/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8278683 0.91 XIAP (0.39) CHRM4MKNK1MKNK2CDK5CDK5R1
SCHEMBL6121167 0.88 EGFR (0.37) ALPLABL1BCR
SCHEMBL8278680 0.83 XIAP (0.39) CHRM4MKNK1MKNK2CDK5CDK5R1
SCHEMBL8277685 0.83 MEN1 (0.43) CHRM4KMT2APOLBMEN1MAPT
SCHEMBL6120660 0.83 MEN1 (0.44) CHRM4KMT2APOLBMEN1MAPT
SCHEMBL8277672 0.82 XIAP (0.38) CSNK2A1KMT2APOLBMEN1
SCHEMBL8277675 0.82 PIP4K2A (0.41) CHRM4KMT2APOLBMEN1MAPT
SCHEMBL6126541 0.81 HPGD (0.37) CSNK2A1PIK3CGCAMKK2KMT2APOLB
SCHEMBL8278810 0.80 MEN1 (0.39) CHRM4KMT2APOLBMEN1MAPT
SCHEMBL6128143 0.80 DUSP3 (0.40) ALPLCDK5CDK5R1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
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 CHRM4 1587/4885CSNK2A1 1799/4885MKNK1 2483/4885

“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.