SCHEMBL12718573

SCHEMBL12718573

C=C1NC(=O)C(C)=CN1[C@H]1CC(n2cc(CF)nn2)[C@@H](CO)O1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TK2 O00142 6/20 0.48
▸ TK1 P04183 7/20 0.46
▸ CA12 O43570 9/20 0.41
▸ CA2 P00918 9/20 0.41
▸ CA5A P35218 9/20 0.41
▸ CA7 P43166 9/20 0.41
▸ CA9 Q16790 9/20 0.41
▸ CA5B Q9Y2D0 9/20 0.41
▸ CA1 P00915 7/20 0.41
▸ TERT O14746 5/20 0.41

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
SCHEMBL13169197 0.76 TK1 (0.43) TK2TK1
SCHEMBL12718550 0.75 RNASE1 (0.35) TK1
SCHEMBL12749183 0.75 TK2 (0.78) TK2TK1CA12CA2CA5A
SCHEMBL12718176 0.75 TK2 (0.78) TK2TK1CA12CA2CA5A
SCHEMBL12718571 0.74 RNASE1 (0.34) TK1
SCHEMBL12718570 0.72 RNASE1 (0.33) —
SCHEMBL13949130 0.72 RNASE1 (0.36) TK2TK1
SCHEMBL26941474 0.72 LMNA (0.54) TK1
SCHEMBL16158115 0.70 TK1 (0.36) TK1
SCHEMBL19749043 0.67 LMNA (0.32) TK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928210-B2 Nucleoside based proliferation imaging markers SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-04-19 — — US disclosed
US-20090016958-A1 Nucleoside based proliferation imaging markers SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-01-15 — — 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-20090016958-A1 Nucleoside based proliferation imaging markers MKI67, SLC29A1, SLC29A2 TK2 20/4885TK1 4/4885CA12 1988/4885

“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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