SCHEMBL6017739

SCHEMBL6017739

Cn1c(-c2c(F)cccc2F)nc(C(=O)NCc2ccccn2)c(O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
MAPK1 P28482 3/20 0.52
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 5/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 6/20 0.46
TSHR P16473 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 3/20 0.46
TP53 P04637 2/20 0.46
USP2 O75604 2/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 4/20 0.45
GAA P10253 3/20 0.45
NPC1 O15118 1/20 0.45
CASP1 P29466 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL6017651 0.84 ADORA2A (0.53) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6017708 0.82 KCNE1 (0.48) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6018572 0.81 KMT2A (0.49) SMN1; SMN2LMNAMEN1KMT2ATP53
SCHEMBL6017839 0.81 SCD (0.46) SMN1; SMN2MEN1KMT2AADORA2AADORA1
SCHEMBL6017873 0.80 LMNA (0.41) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6017737 0.80 KCNE1 (0.44) SMN1; SMN2MEN1KMT2AADORA2AADORA1
SCHEMBL6017974 0.80 MAOB (0.43) MEN1KMT2A
SCHEMBL6018223 0.78 CNR1 (0.48) ALDH1A1MEN1KMT2AHPGD
SCHEMBL6017734 0.78 TACR1 (0.50) SMN1; SMN2KDM4EHTT
SCHEMBL1149969 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2LMNAMEN1

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 3 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

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 ALDH1A1 633/4885MAPK1 2600/4885SMN1; SMN2 4081/4885

“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.