SCHEMBL1775335

SCHEMBL1775335

CNC1CN(c2ccnc(C)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.52
HRH3 Q9Y5N1 5/20 0.48
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL17637741 0.88 HRH4 (0.69) HRH4HRH3
SCHEMBL28791452 0.88 HRH4 (0.69) HRH4HRH3
SCHEMBL785843 0.84 HRH4 (0.57) HRH4HRH3
SCHEMBL30524183 0.82 HRH3 (0.57) HRH4HRH3
SCHEMBL13506774 0.82 HRH3 (0.57) HRH4HRH3
SCHEMBL1775060 0.80 HRH4 (0.50) HRH4HRH3
SCHEMBL20063949 0.79 HRH4 (0.59) HRH4HRH3HCRTR1HCRTR2
SCHEMBL17637738 0.77 HRH4 (0.53) HRH4HRH3GPBAR1
SCHEMBL24454273 0.77 HRH4 (0.51) HRH4HRH3HCRTR1HCRTR2
SCHEMBL1589764 0.76 HRH4 (0.83) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 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-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP HRH4 184/4885HRH3 187/4885HCRTR1 1445/4885

“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.