SCHEMBL2528535

SCHEMBL2528535

O=C(NCc1ccc(F)cc1-n1cncn1)c1nc2n(c(=O)c1OCc1ccccc1)CCOCC21CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.35
MAPK8 P45983 1/20 0.31
RORC P51449 2/20 0.31
HTR2C P28335 1/20 0.31
MCHR1 Q99705 1/20 0.31
USP19 O94966 1/20 0.30
CXCR2 P25025 1/20 0.30
MYC P01106 1/20 0.30
WDR5 P61964 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 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
SCHEMBL2530261 0.89 MYC (0.32) MAPK8HTR2CMCHR1MYCWDR5
SCHEMBL2524336 0.88 MYC (0.32) MAPK8HTR2CMCHR1MYCWDR5
SCHEMBL2525857 0.88 NME2 (0.32) MAPK8HTR2CMCHR1MYCWDR5
SCHEMBL2528391 0.88 NME2 (0.30) MAPK8HTR2CMCHR1
SCHEMBL2528453 0.87 MGAT2 (0.37) MAPK8HTR2CMCHR1CXCR2PIK3CA
SCHEMBL2523947 0.87 CYP2C9 (0.33) F2MAPK8PIK3CAPIK3CG
SCHEMBL5388445 0.86 F2 (0.39) F2MYCWDR5
SCHEMBL2525564 0.86 CNR2 (0.32) MAPK8HTR2CMCHR1CXCR2
SCHEMBL2531640 0.86 PIK3CB (0.35) MAPK8HTR2CMCHR1CXCR2
SCHEMBL12215865 0.85 NME2 (0.32) MAPK8HTR2CMCHR1

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
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO 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 F2 1881/4885MAPK8 1850/4885RORC 1944/4885

“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.