SCHEMBL6017752

SCHEMBL6017752

Cn1c(-c2ccccc2N2CCOCC2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.49
CCR1 P32246 1/20 0.49
KCNQ1 P51787 1/20 0.49
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
KCNH2 Q12809 1/20 0.43
PSMD14 O00487 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RECQL P46063 2/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTNNB1 P35222 1/20 0.40

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
SCHEMBL6017820 0.89 PIK3CD (0.41) KMT2AALDH1A1MAPTPIK3CD
SCHEMBL6017888 0.88 MAPT (0.41) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL6018490 0.88 LMNA (0.45) SMN1; SMN2HPGDLMNAGAAPIK3CD
SCHEMBL6093745 0.84 KCNE1 (0.52) KCNE1CCR1KCNQ1TP53SMN1; SMN2
SCHEMBL1880482 0.82 TP53 (0.46) KCNE1CCR1KCNQ1TP53SMN1; SMN2
SCHEMBL1150283 0.81 KCNE1 (0.51) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL823392 0.81 TP53 (0.48) KCNE1CCR1KCNQ1TP53SMN1; SMN2
SCHEMBL6017832 0.81 KMT2A (0.52) KCNE1CCR1KCNQ1TP53SMN1; SMN2
SCHEMBL6017632 0.81 KCNE1 (0.54) KCNE1CCR1KCNQ1TP53SMN1; SMN2
SCHEMBL6017760 0.80 SMN1; SMN2 (0.57) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.