SCHEMBL2907928

SCHEMBL2907928

O=C(NCc1ccccc1)c1ccc(Cl)nc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.60
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
SLC6A12 P48065 1/20 0.55
HSP90AA1 P07900 1/20 0.54
HTT P42858 2/20 0.53
HPGD P15428 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 2/20 0.52
EGLN1 Q9GZT9 1/20 0.52
APEX1 P27695 1/20 0.51
METAP2 P50579 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL920172 0.88 HTT (0.57) ADORA2AL3MBTL1HTTHPGDLMNA
SCHEMBL1630899 0.85 USP2 (0.60) KMT2AHTTHPGDLMNAGAA
Hydrochloric Acid SCHEMBL1875819 0.84 USP2 (0.59) KMT2AHTTHPGDLMNAGAA
SCHEMBL5012093 0.82 ADORA2A (0.47) ADORA2AKMT2AL3MBTL1MEN1NPC1
SCHEMBL13070867 0.81 ADORA2A (0.53) ADORA2AKMT2AL3MBTL1MEN1NPC1
SCHEMBL920392 0.79 NSD2 (0.66) ADORA2AKMT2AL3MBTL1HPGDLMNA
SCHEMBL4060965 0.78 KMT2A (0.53) KMT2AL3MBTL1MEN1NPC1HSP90AA1
SCHEMBL1680921 0.78 ADORA2A (0.50) ADORA2AKMT2AL3MBTL1MEN1NPC1
SCHEMBL921509 0.78 HPGD (0.55) ADORA2AL3MBTL1HTTHPGDLMNA
SCHEMBL28449389 0.78 SLC6A12 (0.44) ADORA2AKMT2AMEN1SLC6A12HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 EP 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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C ADORA2A 279/4885KMT2A 3157/4885L3MBTL1 3184/4885

“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.