SCHEMBL12820649

SCHEMBL12820649

Cn1c(N)nc2c(=O)[nH]c(N)nc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.57
XDH P47989 7/20 0.53
DHFR P00374 1/20 0.46
TK1 P04183 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL12958955 0.84 XDH (0.49) PNPXDHDHFRTK1ALDH1A1
SCHEMBL2982028 0.82 XDH (0.50) PNPXDHDHFRTK1ALDH1A1
SCHEMBL8798201 0.82 PNP (0.52) PNPXDHDHFRALDH1A1MAPT
SCHEMBL1765838 0.82 PNP (0.48) PNPXDHDHFRTK1ALDH1A1
SCHEMBL12968301 0.82 PNP (0.48) PNPXDHDHFRTK1ALDH1A1
SCHEMBL18520114 0.82 PNP (0.48) PNPXDHDHFRTK1ALDH1A1
SCHEMBL13046994 0.81 ALDH1A1 (0.53) PNPXDHDHFRTK1ALDH1A1
SCHEMBL16755642 0.80 PNP (0.46) PNPXDHDHFRTK1ALDH1A1
SCHEMBL18870774 0.80 PNP (0.49) PNPXDHDHFRTK1ALDH1A1
SCHEMBL12432260 0.80 XDH (0.55) PNPXDHTK1ALDH1A1MEN1

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
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain CHILDREN'S MEDICAL CENTER CORPORATION 2012-10-04 US disclosed
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain CHILDREN'S MEDICAL CENTER CORPORATION 2012-10-04 US disclosed
WO-2011035009-A1 HETEROCYCLIC GTP CYCLOHYDROLASE 1 INHIBITORS FOR THE TREATMENT OF PAIN HERCULES TECHNOLOGY MANAGEMENT CO V, INC. (US) 2011-03-24 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-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain GGH, GGPS1, GGT1 PNP 189/4885XDH 1422/4885DHFR 66/4885

“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.