SCHEMBL5523738

SCHEMBL5523738

COc1ccc(Sc2nc(N)nc3c2ncn3CC2([O])C(CC(F)(F)F)C2(C)CC(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
ADORA2A P29274 2/20 0.35
CYP1A2 P05177 5/20 0.34
DHFR P00374 2/20 0.33
CYP2C19 P33261 4/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HK1 P19367 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
SLC29A1 Q99808 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
HIF1A Q16665 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PHLPP2 Q6ZVD8 1/20 0.32
CYP2D6 P10635 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31

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
SCHEMBL2995160 0.77 ADORA2A (0.35) HSP90AA1HSP90AB1ADORA2ACYP1A2DHFR
SCHEMBL2991768 0.76 ADORA2A (0.34) HSP90AA1HSP90AB1ADORA2ACYP1A2DHFR
SCHEMBL2991772 0.75 ADORA2A (0.35) HSP90AA1HSP90AB1ADORA2ACYP1A2DHFR
SCHEMBL2995163 0.75 ADORA2A (0.35) HSP90AA1HSP90AB1ADORA2ACYP1A2DHFR
SCHEMBL3000654 0.74 HSP90AA1 (0.35) HSP90AA1HSP90AB1ADORA2ACYP1A2DHFR
SCHEMBL3290187 0.73 HSP90AA1 (0.33) HSP90AA1HSP90AB1ADORA2ACYP1A2DHFR
SCHEMBL6838428 0.72 NSD3 (0.40) HSP90AA1HSP90AB1ADORA2ACYP1A2DHFR
SCHEMBL2912064 0.72 ADORA2A (0.47) HSP90AA1HSP90AB1ADORA2ACYP1A2DHFR
SCHEMBL15532125 0.71 NSD3 (0.40) HSP90AA1HSP90AB1ADORA2ACYP1A2DHFR
SCHEMBL6837777 0.71 NSD3 (0.40) HSP90AA1HSP90AB1ADORA2ACYP1A2DHFR

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-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2004-04-01 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-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HSP90AA1 4081/4885HSP90AB1 3304/4885ADORA2A 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.