SCHEMBL12958948

SCHEMBL12958948

C=C1Oc2c(nc(N)[nH]c2=O)N1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 3/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ XDH P47989 2/20 0.31

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
SCHEMBL12958946 0.81 PNP (0.36) PNPNPSR1HSD17B10MAPTGLA
SCHEMBL12958947 0.78 HPRT1 (0.34) PNPNPSR1HSD17B10XDH
SCHEMBL12958940 0.70 PNP (0.36) PNPNPSR1MAPTTHRBCDK1
SCHEMBL12959154 0.69 PNP (0.34) PNP
SCHEMBL12958949 0.65 PNP (0.37) PNPNPSR1MAPTTHRBCDK1
SCHEMBL12958941 0.62 NOS1 (0.37) PNPNPSR1MAPTTHRBCDK1
SCHEMBL1586365 0.61 PNP (0.37) PNPMAPTTHRBCDK1CDK4
SCHEMBL19464457 0.61 HPRT1 (0.47) PNPMAPTCDK1CDK4CDK2
SCHEMBL2787048 0.60 HPRT1 (0.50) PNPNPSR1KDM4EALDH1A1HSD17B10
SCHEMBL21163153 0.59 NPSR1 (0.40) PNPNPSR1ALDH1A1MEN1KMT2A

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 PNP 189/4885NPSR1 3310/4885KDM4E 3044/4885

“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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