SCHEMBL6094142

SCHEMBL6094142

CCOC(=O)c1nc(-n2cnc(C)n2)n(C)c(=O)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
MAPK10 P53779 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 1/20 0.37

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
SCHEMBL3416727 0.82 KMT2A (0.46) KDM4EMEN1KMT2AHSP90AA1LMNA
SCHEMBL6093491 0.81 KDM4E (0.44) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL6093130 0.80 KDM4E (0.39) KDM4EMEN1KMT2AHSP90AA1ADORA2A
SCHEMBL6093940 0.80 KDM4E (0.45) SMN1; SMN2RECQLKDM4ENPC1RAB9A
SCHEMBL6095015 0.80 LMNA (0.39) SMN1; SMN2KDM4ENPC1RAB9AADORA3
SCHEMBL6086680 0.80 ALDH1A1 (0.41) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6095402 0.80 ALDH1A1 (0.50) KDM4EMEN1KMT2AADORA3ADORA2A
SCHEMBL6095057 0.80 DPP4 (0.43) SMN1; SMN2KDM4EADORA3LMNACYP1A2
SCHEMBL5303358 0.79 ALDH1A1 (0.39) SMN1; SMN2KDM4EMEN1KMT2AHSP90AA1
SCHEMBL6093718 0.79 KDM4E (0.42) KDM4ENPC1MEN1KMT2AHSP90AA1

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-7135467-B2 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 (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 SMN1; SMN2 3629/4885RECQL 253/4885MAPK10 3427/4885

“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.