SCHEMBL6018074

SCHEMBL6018074

COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.51
CCR1 P32246 1/20 0.51
KCNQ1 P51787 1/20 0.51
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HDAC1 Q13547 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
CYP2C9 P11712 1/20 0.43
CNR2 P34972 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA2B P29275 1/20 0.42
EGLN1 Q9GZT9 2/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6017903 0.88 CDK2 (0.44) KCNE1CCR1KCNQ1CDK2GSK3B
SCHEMBL6017778 0.88 KCNE1 (0.55) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6018646 0.86 PTGES (0.46) CDK2GSK3BSMN1; SMN2HDAC1CNR2
SCHEMBL1150575 0.85 KCNE1 (0.56) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL1150195 0.85 KCNE1 (0.56) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL27616343 0.83 KCNE1 (0.54) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6017760 0.83 SMN1; SMN2 (0.57) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6017686 0.82 KCNE1 (0.55) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6017751 0.82 KCNE1 (0.51) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6018290 0.82 KCNE1 (0.53) KCNE1CCR1KCNQ1GSK3BSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 US claimed
US-7037908-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 US disclosed
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO 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-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex DUT, CDK6, TYMS KCNE1 3647/4885CCR1 1187/4885KCNQ1 2858/4885

“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.