SCHEMBL4875487

SCHEMBL4875487

c1cnc(-c2nc3ncncc3[nH]2)nc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.67
METAP2 P50579 3/20 0.67
NPY5R Q15761 1/20 0.42
FGFR1 P11362 2/20 0.40
FLT1 P17948 2/20 0.40
PDE5A O76074 3/20 0.37
AURKA O14965 6/20 0.36
WNT1 P04628 1/20 0.34
HPSE Q9Y251 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL4924097 0.80 METAP2 (1.00) METAP1METAP2AURKA
SCHEMBL680854 0.77 METAP2 (0.65) METAP1METAP2NPY5RAURKAPTGDR2
SCHEMBL6385063 0.77 METAP2 (0.60) METAP1METAP2NPY5RWNT1
SCHEMBL9990569 0.77 METAP1 (0.63) METAP1METAP2NPY5RFGFR1FLT1
SCHEMBL7035590 0.76 METAP1 (0.72) METAP1METAP2NPY5RFGFR1FLT1
Hydrochloric Acid SCHEMBL4456676 0.76 METAP2 (0.63) METAP1METAP2NPY5RAURKAPTGDR2
SCHEMBL27787407 0.76 METAP1 (0.66) METAP1METAP2FGFR1FLT1PDE5A
SCHEMBL369485 0.75 METAP2 (0.61) METAP1METAP2NPY5R
SCHEMBL2045300 0.74 METAP1 (0.60) METAP1METAP2NPY5RFGFR1FLT1
SCHEMBL13137746 0.73 METAP2 (0.56) METAP1METAP2NPY5RFGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449470-B2 Substituted pyrimidines as ligands of adenosine receptors UNIVERSITEIT LEIDEN (NL) 2008-11-11 US disclosed
US-20070032510-A1 Substituted pyrimidines as ligands of adenosine receptors UNIVERSITEIT LEIDEN (NL) 2007-02-08 US disclosed
EP-1667985-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS Universiteit Leiden (NL) 2006-06-14 EP disclosed
WO-2005033084-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS UNIVERSITEIT LEIDEN (NL) 2005-04-14 WO 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-20070032510-A1 Substituted pyrimidines as ligands of adenosine receptors ADORA2A, ADORA3, ADORA1 METAP1 2160/4885METAP2 1800/4885NPY5R 761/4885

“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.