SCHEMBL3108323

SCHEMBL3108323

CNc1cccn(O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.42
MMP9 P14780 5/20 0.42
IDH1 O75874 2/20 0.39
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
ATM Q13315 1/20 0.37
CA2 P00918 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
EGFR P00533 1/20 0.36
PABPC1 P11940 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.34
RECQL P46063 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL13036942 0.79 MMP2 (0.42) MMP2MMP9IDH1KDM4ECA2
SCHEMBL9232313 0.77 TYK2 (0.40) IDH1KDM4EPOLBATMMAPT
SCHEMBL20806089 0.75 MAPT (0.36) IDH1KDM4EPOLBATMMAPT
SCHEMBL14467741 0.72 IDH1 (0.44) IDH1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL12747503 0.72 TYK2 (0.40) MAPTSMN1; SMN2TDP1L3MBTL1EGFR
SCHEMBL14649482 0.71
SCHEMBL12674551 0.71 SMN1; SMN2 (0.46) KDM4EPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL10065639 0.71 ALDH1A1 (0.45) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL13815144 0.70 ELANE (0.38) KDM4EPOLBATMMAPTSMN1; SMN2
SCHEMBL14195270 0.69 PKM (0.44) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1

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
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
EP-2089365-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-08-19 EP disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 US disclosed
WO-2008045668-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-17 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 (2 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-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 MMP2 16/4885MMP9 8/4885IDH1 841/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 MMP2 16/4885MMP9 8/4885IDH1 841/4885

“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.