SCHEMBL4037647

SCHEMBL4037647

CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1-c1cc(Br)no1)c(OCc1ccccc1)c2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KCNA5 P22460 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACKR3 P25106 1/20 0.32
SMPD1 P17405 1/20 0.32
KCNK3 O14649 1/20 0.32
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPK14 Q16539 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
SENP5 Q96HI0 1/20 0.30
SENP2 Q9HC62 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
SCHEMBL4040882 0.93 MEN1 (0.39) MEN1KMT2AALDH1A1NPSR1KCNA5
SCHEMBL4036395 0.90 DRD2 (0.39) MEN1KMT2AKCNA5MAPTL3MBTL1
SCHEMBL4039718 0.87 MEN1 (0.35) MEN1KMT2AKCNA5MAPTL3MBTL1
SCHEMBL4036499 0.87 MEN1 (0.34) MEN1KMT2AKCNA5MAPTL3MBTL1
SCHEMBL14511038 0.87 L3MBTL1 (0.36) MEN1KMT2AALDH1A1KCNA5MAPT
SCHEMBL13917229 0.87 EGLN1 (0.37) MEN1KMT2AKCNA5KCNK3L3MBTL1
SCHEMBL4041986 0.86 ADORA2A (0.35) KCNA5DRD2DRD4DRD3
SCHEMBL4045004 0.86 KCNK3 (0.39) MEN1KMT2AALDH1A1KCNA5HPGD
SCHEMBL4040160 0.86 KCNA5 (0.33) MEN1KMT2AKCNA5L3MBTL1DRD2
SCHEMBL5532226 0.86 MEN1 (0.34) MEN1KMT2AALDH1A1KCNA5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511037-B2 N-[[4-fluoro-2-(5-methy-1H-1,2,4-triazol-1-yl)phenyl]methyl]-4-,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-31 US disclosed
US-7491819-B1 N-[4-Fluorophenyl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-17 US disclosed
US-7491819-B1 N-[4-Fluorophenyl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-17 US disclosed
US-7491819-B1 N-[4-Fluorophenyl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-17 US disclosed
EP-1749011-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-29 EP disclosed
EP-1749011-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-29 EP disclosed
WO-2007064316-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO disclosed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
EP-1749011-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-07 EP disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors NAIDU B N 2006-12-07 US disclosed
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-07 US disclosed
WO-2005118593-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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 (3 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-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 MEN1 3515/4885KMT2A 1122/4885ALDH1A1 553/4885
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 MEN1 3515/4885KMT2A 1122/4885ALDH1A1 553/4885
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 MEN1 3515/4885KMT2A 1122/4885ALDH1A1 553/4885

“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.