SCHEMBL2610992

SCHEMBL2610992

OC[C@H]1O[C@@H](c2coc3c(NCCCn4ccnc4)ncnc23)[C@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 5/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
AURKA O14965 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
EPHB2 P29323 1/20 0.43

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
SCHEMBL2102757 0.85 SLC29A1 (0.42) TSHRKDM4ESLC29A1ADORA3ADORA2A
SCHEMBL2102770 0.85 SLC29A1 (0.42) TSHRKDM4ESLC29A1ADORA3ADORA2A
SCHEMBL2102027 0.83 HIF1A (0.40) TP53TSHRSMN1; SMN2SLC29A1ADORA3
SCHEMBL260316 0.81 SLC29A1 (0.44) TSHRSLC29A1ADORA3ADORA2AADORA1
SCHEMBL260317 0.81 SLC29A1 (0.44) TSHRSLC29A1ADORA3ADORA2AADORA1
SCHEMBL259659 0.79 HIF1A (0.40) TSHRSLC29A1ADORA3ADORA2AADORA1
SCHEMBL259660 0.79 HIF1A (0.40) TSHRSLC29A1ADORA3ADORA2AADORA1
SCHEMBL2102610 0.77 ADORA3 (0.41) TP53TSHRTDP1SMN1; SMN2LMNA
SCHEMBL260216 0.76 ADK (0.43) ADORA3ADORA1
SCHEMBL260214 0.76 ADK (0.43) ADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537520-A1 Hepatics C therapies Biocryst Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
US-8163703-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20100143300-A1 HEPATITIS C THERAPIES WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-06-10 US disclosed
US-7514410-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2009-04-07 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-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC CYP1A2 982/4885CYP3A4 1075/4885CYP2D6 2325/4885

“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.