Sugi Predict

Sugi Predict / Compounds / SCHEMBL2525538

SCHEMBL2525538

SCHEMBL2525538

Cc1n[nH]c(-c2cc(F)ccc2CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CCOCC32CCOCC2)n1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.31
▸ MYC P01106 1/20 0.31
▸ WDR5 P61964 1/20 0.31
▸ GRIA1 P42261 2/20 0.31
▸ PDE1A P54750 2/20 0.30
▸ PDE1B Q01064 2/20 0.30
▸ PDE1C Q14123 2/20 0.30
▸ NME2 P22392 1/20 0.30
▸ RAF1 P04049 2/20 0.30
▸ BRAF P15056 2/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30
▸ KCNK3 O14649 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13447848 0.90 CNR2 (0.33) PDGFRBFGFR1KDRKCNK3CNR2
SCHEMBL2531507 0.88 CNR2 (0.33) KCNA5MYCWDR5PDE1APDE1B
SCHEMBL2527677 0.87 CYP2C9 (0.34) PDGFRBFGFR1KDRKCNK3
SCHEMBL2523962 0.87 NME2 (0.33) KCNA5MYCWDR5NME2HTR2C
SCHEMBL2531640 0.86 PIK3CB (0.35) KCNA5MAPK8HTR2CMCHR1KCNK3
SCHEMBL2530261 0.84 MYC (0.32) MYCWDR5PDE1APDE1BPDE1C
SCHEMBL2523963 0.83 MAPT (0.42) CNR2PDE5AL3MBTL1
SCHEMBL2524336 0.83 MYC (0.32) MYCWDR5PDE1APDE1BPDE1C
SCHEMBL2528775 0.83 MYC (0.33) MYCWDR5PDE1APDE1BPDE1C
SCHEMBL2525564 0.82 CNR2 (0.32) NME2MAPK8HTR2CMCHR1KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 — — EP disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 — — EP disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — 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-20070111984-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 KCNA5 4059/4885MYC 1737/4885WDR5 801/4885

“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.