SCHEMBL16816618

SCHEMBL16816618

O=C1CNCCN1c1[c]occ1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MAPKAPK2 P49137 1/20 0.33
MAP4K1 Q92918 1/20 0.31
PIM1 P11309 2/20 0.31
WEE1 P30291 1/20 0.30

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
SCHEMBL4660475 0.72 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MAPKAPK2PIM1
SCHEMBL4677595 0.72 ADRB1 (0.41)
SCHEMBL4313251 0.71 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MAPKAPK2PIM1
SCHEMBL15415226 0.69 PIM1 (0.36) SLC6A2SLC6A4SLC6A3MAP4K1PIM1
SCHEMBL4313256 0.68 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3MAPKAPK2MAP4K1
SCHEMBL532873 0.67 NPC1 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2
SCHEMBL4313200 0.67 HTR2C (0.34) SLC6A2SLC6A4SLC6A3PIM1
SCHEMBL85663 0.66 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2MAP4K1
SCHEMBL3656969 0.66 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2
Hydrochloric Acid SCHEMBL2854834 0.66 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAPKAPK2

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
US-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US claimed
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2015-08-20 US claimed
EP-2886540-A1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS Xuanzhu Pharma Co., Ltd. (CN) 2015-06-24 EP claimed
US-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US disclosed
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2015-08-20 US disclosed
EP-2886540-A1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS Xuanzhu Pharma Co., Ltd. (CN) 2015-06-24 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-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds DPYD, UMPS, TYMP SLC6A2 500/4885SLC6A4 426/4885SLC6A3 570/4885

“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.