SCHEMBL134394

SCHEMBL134394

CCCC(C)(C(=O)O)c1c(C)nc2sc3c(c2c1-c1cccnc1)CCCC3

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL142735 0.89 KMT2A (0.51) KMT2A
SCHEMBL134362 0.87 KMT2A (0.62) KMT2A
SCHEMBL139281 0.86 KMT2A (0.54) KMT2A
SCHEMBL135121 0.85 KMT2A (0.53) KMT2A
SCHEMBL137385 0.85 KMT2A (0.53) KMT2A
SCHEMBL136650 0.85 KMT2A (0.53) KMT2A
SCHEMBL136893 0.85 KMT2A (0.60) KMT2A
SCHEMBL140589 0.84 KMT2A (0.45) KMT2A
SCHEMBL134951 0.84 KDM4E (0.49) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL134620 0.83 KMT2A (0.51) KMT2A

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
EP-2430029-A1 THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-03-21 EP disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 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-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS KMT2A 2903/4885KDM4E 827/4885NPC1 2092/4885

“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.