SCHEMBL12958941

SCHEMBL12958941

C=C1Nc2nc(N)[nH]c(=O)c2N1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.37
▸ NOS3 P29474 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ PNP P00491 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ XDH P47989 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL12958940 0.71 PNP (0.36) NOS1NOS3NOS2PNPNPSR1
SCHEMBL19204413 0.68 NOS1 (0.47) NOS1NOS3NOS2PNPNPSR1
SCHEMBL12959151 0.67 POLB (0.31) PNP
SCHEMBL29754917 0.66 NOS1 (0.54) NOS1NOS3NOS2PNPNPSR1
SCHEMBL12958948 0.62 PNP (0.34) PNPNPSR1MAPTCDK1CDK4
SCHEMBL23815922 0.62 ADORA2A (0.33) —
SCHEMBL12958949 0.62 PNP (0.37) NOS1NOS3NOS2PNPNPSR1
SCHEMBL1586365 0.62 PNP (0.37) NOS1NOS3NOS2PNPMAPT
SCHEMBL8133897 0.61 NOS1 (0.33) NOS1NOS3NOS2PNPXDH
SCHEMBL31315883 0.61 NOS1 (0.43) NOS1NOS3NOS2PNPNPSR1

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 1 patent. 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

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 NOS1 1243/4885NOS3 1640/4885NOS2 1703/4885

“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.

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