SCHEMBL13360604

SCHEMBL13360604

CC(C)C[C@@H](Cn1cnc2c(N)ncnc21)OCP(=O)(OC(C)C)OC(C)C

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.58
FAP Q12884 2/20 0.55
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
CYP2D6 P10635 13/20 0.48
ALDH1A1 P00352 1/20 0.46
FGFR1 P11362 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45

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
SCHEMBL13360612 0.88 CYP3A4 (0.56) CYP3A4FAPADORA2AADORA1CYP2D6
SCHEMBL13983477 0.87 CYP3A4 (0.76) CYP3A4FAPCYP2D6
SCHEMBL7267656 0.87 CYP3A4 (0.76) CYP3A4FAPCYP2D6
SCHEMBL7268779 0.87 CYP3A4 (0.76) CYP3A4FAPCYP2D6
SCHEMBL14629613 0.86 CYP3A4 (0.65) CYP3A4FAPADORA2AADORA1CYP2D6
SCHEMBL13360654 0.82 HSP90AB1 (0.44) CYP3A4CYP2D6
SCHEMBL13411861 0.79 CYP3A4 (0.57) CYP3A4FAPADORA2AADORA1CYP2D6
SCHEMBL12445668 0.78 FGFR1 (0.69) CYP3A4FAPADORA2AADORA1FGFR1
SCHEMBL14669197 0.78 CYP3A4 (0.74) CYP3A4FAPADORA2AADORA1CYP2D6
SCHEMBL14037141 0.77 CYP3A4 (0.58) CYP3A4FAPADORA2AADORA1CYP2D6

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-7723319-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2010-05-25 US disclosed
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2010-01-07 US disclosed
US-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 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-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CYP3A4 456/4885FAP 2016/4885ADORA2A 119/4885

“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.