SCHEMBL987746

SCHEMBL987746

O=C1CN=Cc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.41
NSD2 O96028 3/20 0.41
PAX8 Q06710 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ABL1 P00519 1/20 0.41
PLCG1 P19174 1/20 0.41
CES1 P23141 1/20 0.41
RIN1 Q13671 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
S100A4 P26447 5/20 0.37
CDC25B P30305 3/20 0.37
PTPRC P08575 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
PTPN13 Q12923 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL1021274 0.73 S100A4 (0.41) TDP2NSD2PAX8TDP1ABL1
SCHEMBL15405526 0.72 S100A4 (0.40) TDP2NSD2PAX8TDP1ABL1
Hydrochloric Acid SCHEMBL31127657 0.72 S100A4 (0.40) TDP2NSD2PAX8TDP1ABL1
SCHEMBL30503628 0.72 S100A4 (0.40) TDP2NSD2PAX8TDP1ABL1
SCHEMBL19423556 0.72 S100A4 (0.40) TDP2NSD2PAX8TDP1ABL1
SCHEMBL6949593 0.71
SCHEMBL3590145 0.70 HSP90AA1 (0.39) TDP2NSD2PAX8TDP1ABL1
SCHEMBL24981816 0.69 TDP2 (0.45) TDP2NSD2PAX8TDP1ABL1
Hydrochloric Acid SCHEMBL31586638 0.69 PDE3B (0.33) TDP1KDM4EHIF1A
SCHEMBL30083032 0.69 TDP2 (0.45) TDP2NSD2PAX8TDP1ABL1

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
EP-2268638-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-01-05 EP claimed
WO-2009121812-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-10-08 WO claimed
EP-2268638-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-01-05 EP disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 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 (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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 TDP2 2361/4885NSD2 1738/4885PAX8 4688/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 TDP2 2361/4885NSD2 1738/4885PAX8 4688/4885

“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.