SCHEMBL3416032

SCHEMBL3416032

C=Cc1cn([C@@H]2C[C@H](CO)[C@H](O)C2)c(=O)[nH]c1=O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.74
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TK2 O00142 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TYMS P04818 1/20 0.37
ALOX12 P18054 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL3416035 1.00 TK1 (0.74) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL5600888 1.00 TK1 (0.74) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3408681 0.85 TK1 (0.79) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL10848178 0.85 TK1 (1.00) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL10809607 0.85 TK1 (1.00) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL10848568 0.83 TK1 (0.76) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL10848561 0.83 TK1 (0.76) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL9847481 0.83 TK1 (0.76) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11117681 0.83 TK1 (0.76) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3411578 0.81 TK1 (1.00) TK1CYP1A2CYP3A4TSHRBLM

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-20100168052-A1 Treatment of EBV and KHSV Infection and Associated Abnormal Cellular Proliferation PHARMASSET, INC. (US) 2010-07-01 US disclosed
US-7638502-B2 Treatment of EBV and KHSV infection and associated abnormal cellular proliferation PHARMASSET, INC. (US) 2009-12-29 US disclosed
US-20070197462-A1 Treatment of EBV and KHSV infection and associated abnormal cellular proliferation PHARMASSET, INC. (US) 2007-08-23 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 (2 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-20070197462-A1 Treatment of EBV and KHSV infection and associated abnormal cellular proliferation UMPS, ENTPD5, TK1 TK1 3/4885CYP1A2 2865/4885CYP3A4 1310/4885
US-20100168052-A1 Treatment of EBV and KHSV Infection and Associated Abnormal Cellular Proliferation UMPS, ENTPD5, TK1 TK1 3/4885CYP1A2 2865/4885CYP3A4 1310/4885

“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.