SCHEMBL13021323

SCHEMBL13021323

CC(C)=CCNc1ncnc2c1c(C(N)=NO)cn2[C@@H]1OC(COP(=O)(O)O)C(O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ STAT6 P42226 1/20 0.57
▸ PAX8 Q06710 1/20 0.55
▸ CASP6 P55212 1/20 0.51
▸ DNPH1 O43598 7/20 0.47
▸ TAS1R3 Q7RTX0 2/20 0.47
▸ TAS1R1 Q7RTX1 2/20 0.47
▸ FBP1 P09467 2/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ TRPM2 O94759 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ P2RY2 P41231 1/20 0.47
▸ P2RY1 P47900 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ PDE4D Q08499 1/20 0.47

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
SCHEMBL13021233 0.87 HIF1A (0.75) HIF1ATP53STAT6PAX8
SCHEMBL2784937 0.87 HIF1A (0.75) HIF1ATP53STAT6PAX8
SCHEMBL2784929 0.87 HIF1A (0.75) HIF1ATP53STAT6PAX8
SCHEMBL13021321 0.87 TP53 (0.57) HIF1ATP53STAT6CASP6DNPH1
SCHEMBL2785112 0.86 HIF1A (0.48) HIF1ATP53STAT6PAX8CASP6
SCHEMBL2785116 0.86 HIF1A (0.48) HIF1ATP53STAT6PAX8CASP6
SCHEMBL25286647 0.80 DNPH1 (0.71) TP53DNPH1TAS1R3TAS1R1FBP1
SCHEMBL29494827 0.80 DNPH1 (0.71) TP53DNPH1TAS1R3TAS1R1FBP1
SCHEMBL2786833 0.75 TP53 (0.48) HIF1ATP53STAT6CASP6P2RY2
SCHEMBL2788446 0.75 HIF1A (0.77) HIF1ATP53STAT6PAX8

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-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — 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-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION HAVCR2, EIF2AK2, OAT HIF1A 247/4885TP53 2531/4885STAT6 1884/4885

“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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