SCHEMBL97265

SCHEMBL97265

C[C@H](Cn1cnc2c(N)nc(N)nc21)OCP(C)(=O)O

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.62
CYP2D6 P10635 14/20 0.52
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
FAP Q12884 1/20 0.48

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
SCHEMBL173030 0.92 CYP3A4 (0.73) CYP3A4CYP2D6CDK1CCNB1CCNE1
SCHEMBL1032335 0.92 CYP3A4 (0.73) CYP3A4CYP2D6CDK1CCNB1CCNE1
SCHEMBL4312545 0.92 CYP3A4 (0.73) CYP3A4CYP2D6CDK1CCNB1CCNE1
SCHEMBL30515122 0.92 CYP3A4 (0.73) CYP3A4CYP2D6CDK1CCNB1CCNE1
SCHEMBL97303 0.87 HPRT1 (0.51) CYP3A4CYP2D6CDK1CCNB1CCNE1
SCHEMBL31069865 0.85 CYP3A4 (0.55) CYP3A4CYP2D6CDK1CCNB1CCNE1
SCHEMBL10018164 0.85 CYP3A4 (0.85) CYP3A4CYP2D6FAP
SCHEMBL14682471 0.85 CYP3A4 (0.85) CYP3A4CYP2D6FAP
SCHEMBL173053 0.84 CYP2D6 (0.64) CYP3A4CYP2D6
SCHEMBL13714851 0.84 CCNE1 (0.47) CYP3A4CYP2D6CDK1CCNB1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141375-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. 2015-05-21 US disclosed
US-20130072458-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. (US) 2013-03-21 US disclosed
US-20120058975-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-03-08 US disclosed
US-8008308-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-30 US disclosed
WO-2011011710-A1 METHODS OF TREATING VIRAL INFECTIONS CHIMERIX, INC. (US) 2011-01-27 WO 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 (3 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-20130072458-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP CYP3A4 2858/4885CYP2D6 3190/4885CDK1 4742/4885
US-20120058975-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA CYP3A4 2408/4885CYP2D6 3148/4885CDK1 239/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP CYP3A4 2858/4885CYP2D6 3190/4885CDK1 4742/4885

“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.