SCHEMBL4041986

SCHEMBL4041986

Cn1nccc1-c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KCNA5 P22460 1/20 0.34
HTR2A P28223 8/20 0.34
KCNH2 Q12809 2/20 0.34
HTR2C P28335 3/20 0.33
LRRK2 Q5S007 1/20 0.33
P2RX7 Q99572 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BDKRB2 P30411 1/20 0.33
USP19 O94966 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL4036395 0.91 DRD2 (0.39) KCNA5P2RX7DRD2DRD4DRD3
SCHEMBL4039718 0.89 MEN1 (0.35) KCNA5P2RX7SMN1; SMN2
SCHEMBL4045005 0.88 NTRK1 (0.34) KCNA5SMN1; SMN2DRD2DRD4DRD3
SCHEMBL4036499 0.88 MEN1 (0.34) ADORA2AADORA1KCNA5P2RX7SMN1; SMN2
SCHEMBL14511038 0.88 L3MBTL1 (0.36) KCNA5P2RX7SMN1; SMN2
SCHEMBL4034869 0.88 CYP4F2 (0.34) KCNA5P2RX7DRD2DRD4DRD3
SCHEMBL4035516 0.87 KCNA5 (0.36) KCNA5P2RX7DRD2DRD4DRD3
SCHEMBL13930036 0.87 PDE5A (0.35) KCNA5SMN1; SMN2
SCHEMBL5532226 0.87 MEN1 (0.34) KCNA5P2RX7SMN1; SMN2
SCHEMBL4036817 0.87 MEN1 (0.34) KCNA5P2RX7SMN1; SMN2

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-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
WO-2007064316-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO 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-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-07 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-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 ADORA2A 2025/4885ADORA1 1037/4885KCNA5 3545/4885

“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.