SCHEMBL9905086

SCHEMBL9905086

CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCC2(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
ROCK2 O75116 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
RORC P51449 1/20 0.36
TSHR P16473 1/20 0.35
FSHR P23945 1/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL16130200 0.94 TLR2 (0.38) HPGDROCK2KDM4EL3MBTL1SMN1; SMN2
SCHEMBL51812 0.91 HPGD (0.35) HPGDROCK2KDM4ESMN1; SMN2RORC
SCHEMBL9905103 0.91 RORC (0.36) RORCTSHRFSHRADORA2AADORA1
SCHEMBL61886 0.91 HPGD (0.38) HPGDROCK2KDM4EL3MBTL1SMN1; SMN2
SCHEMBL52246 0.90 HPGD (0.37) HPGDROCK2KDM4EL3MBTL1MAPT
SCHEMBL63542 0.90 HPGD (0.38) HPGDROCK2KDM4EL3MBTL1SMN1; SMN2
SCHEMBL14214193 0.88 TSHR (0.36) MAPTRORCTSHRFSHR
SCHEMBL14214194 0.87 TSHR (0.38) L3MBTL1SMN1; SMN2MAPTRORCTSHR
SCHEMBL61903 0.87 ROCK2 (0.36) HPGDROCK2KDM4ESMN1; SMN2RORC
SCHEMBL9921561 0.86 TLR2 (0.38) L3MBTL1MAPTRORCTSHRFSHR

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
US-8846659-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
EP-2649074-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-16 EP disclosed
US-20120309745-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078844-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 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 (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-20120309745-A1 HIV Integrase Inhibitors DNTT, POLB, UNG HPGD 1406/4885ROCK2 1690/4885KDM4E 1609/4885

“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.