SCHEMBL6017632

SCHEMBL6017632

COc1ccccc1-c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.54
CCR1 P32246 1/20 0.54
KCNQ1 P51787 1/20 0.54
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
PPARG P37231 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
GLA P06280 1/20 0.46
LIPG Q9Y5X9 1/20 0.45
LMNA P02545 1/20 0.45
RCE1 Q9Y256 1/20 0.44

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
SCHEMBL6018704 0.89 KCNE1 (0.56) KCNE1CCR1KCNQ1ALDH1A1MAPT
SCHEMBL6018060 0.89 TSHR (0.47) KCNE1CCR1KCNQ1ALDH1A1MAPT
SCHEMBL6017876 0.87 WDR5 (0.49) KCNE1CCR1KCNQ1ALDH1A1MAPT
SCHEMBL6017832 0.86 KMT2A (0.52) KCNE1CCR1KCNQ1MAPTSMN1; SMN2
SCHEMBL6018089 0.86 TSHR (0.45) KCNE1CCR1KCNQ1ALDH1A1MAPT
SCHEMBL6017999 0.86 KCNE1 (0.51) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6017760 0.86 SMN1; SMN2 (0.57) KCNE1CCR1KCNQ1ALDH1A1MAPT
SCHEMBL6018587 0.85 SMN1; SMN2 (0.51) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6017778 0.84 KCNE1 (0.55) KCNE1CCR1KCNQ1MAPTSMN1; SMN2
SCHEMBL6017893 0.82 CCR1 (0.50) 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 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
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO 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

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.