SCHEMBL6842775

SCHEMBL6842775

Cc1nn2ccc(OCCN3CCOCC3)cc2c1-c1nc(-c2c(F)cccc2CO)c(-c2nc[nH]n2)s1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
GPR55 Q9Y2T6 1/20 0.33
RUNX1 Q01196 1/20 0.33
NPC1 O15118 1/20 0.33
AURKB Q96GD4 1/20 0.33
UBE2N P61088 1/20 0.33
MAPK14 Q16539 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
MAOA P21397 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LTA4H P09960 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
PDE2A O00408 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL6842774 0.93 MEN1 (0.31) MEN1KMT2A
SCHEMBL6845055 0.92 CNR1 (0.37) SYKCNR1CNR2GPR55NPC1
SCHEMBL954079 0.90 CNR1 (0.35) SYKCNR1CNR2NPC1AURKB
SCHEMBL954160 0.89 PDE2A (0.36) SYKCNR1CNR2GPR55NPC1
SCHEMBL6845067 0.85 MEN1 (0.32) SYKCNR1CNR2GPR55MEN1
SCHEMBL957296 0.83 MAP4K1 (0.37)
SCHEMBL951946 0.83 JAK2 (0.35) CNR1CNR2GPR55NPC1MAPK14
SCHEMBL954250 0.82 CHEK1 (0.39) KDM4E
SCHEMBL6845079 0.82 ALK (0.32) CNR1CNR2GPR55
SCHEMBL952318 0.82 HRH3 (0.36) NPC1LTA4HTSHRPDE2A

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-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 SYK 319/4885CNR1 3484/4885CNR2 3598/4885

“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.