SCHEMBL2530261

SCHEMBL2530261

Cc1ncn(-c2cc(F)ccc2CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CCOCC32CCOCC2)n1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32
CNR2 P34972 2/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
PDE1A P54750 3/20 0.31
PDE1B Q01064 3/20 0.31
PDE1C Q14123 3/20 0.31
NME2 P22392 2/20 0.31
P2RX7 Q99572 2/20 0.31
MAPK8 P45983 2/20 0.31
PTGER1 P34995 1/20 0.31
POLB P06746 2/20 0.30
THRB P10828 1/20 0.30
HTR2C P28335 1/20 0.30
MCHR1 Q99705 1/20 0.30
KCNK3 O14649 1/20 0.30
LMNA P02545 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
SCHEMBL2528535 0.89 F2 (0.35) MYCWDR5PIK3CAPIK3CGMAPK8
SCHEMBL4041831 0.88 POLB (0.32) MYCWDR5P2RX7PTGER1POLB
SCHEMBL2526008 0.88 MYC (0.33) MYCWDR5CNR2PIK3CAPIK3CG
SCHEMBL2528527 0.88 EGLN1 (0.34) MYCWDR5CNR2PIK3CAPIK3CG
SCHEMBL2524336 0.88 MYC (0.32) MYCWDR5CNR2PIK3CAPIK3CG
SCHEMBL2525857 0.87 NME2 (0.32) MYCWDR5CNR2NME2MAPK8
SCHEMBL2528775 0.87 MYC (0.33) MYCWDR5CNR2PIK3CAPIK3CG
SCHEMBL2525564 0.87 CNR2 (0.32) CNR2NME2P2RX7MAPK8HTR2C
SCHEMBL2528453 0.87 MGAT2 (0.37) CNR2PIK3CAPIK3CGNME2P2RX7
SCHEMBL2531640 0.86 PIK3CB (0.35) CNR2MAPK8HTR2CMCHR1KCNK3

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 MYC 1737/4885WDR5 801/4885CNR2 4499/4885

“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.