SCHEMBL3886943

SCHEMBL3886943

COc1ccc(CN(C(=O)OC(C)(C)C)c2nc3nc(SC)sc3c3c2ncn3C)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
MLYCD O95822 1/20 0.33
NR1D1 P20393 1/20 0.32
IKBKB O14920 2/20 0.32
CHUK O15111 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
TRPA1 O75762 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
P2RX3 P56373 1/20 0.31
PPARD Q03181 1/20 0.31
FFAR1 O14842 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CCNE2 O96020 1/20 0.30

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
SCHEMBL3993164 0.89 MCL1 (0.34) MCL1MLYCDNR1D1IKBKBTRPA1
SCHEMBL3884245 0.87 MCL1 (0.34) MCL1MLYCDNR1D1IKBKBP2RX3
SCHEMBL3892417 0.86 IKBKB (0.34) MCL1MLYCDNR1D1IKBKBCHUK
SCHEMBL3882582 0.86 IKBKB (0.37) MCL1IKBKBCHUKCHRM2CHRM1
SCHEMBL3552048 0.82 RXFP1 (0.37) MCL1MLYCDMAPTHTT
SCHEMBL3882638 0.81 IKBKB (0.38) IKBKBCHUK
SCHEMBL2768830 0.79 MCL1 (0.36) MCL1MLYCDNR1D1IKBKBSMN1; SMN2
SCHEMBL3883442 0.78 CCNE2 (0.36) MCL1SMN1; SMN2HTTCHRM2CHRM1
SCHEMBL2771027 0.77 CCNE2 (0.38) MCL1SMN1; SMN2HTTCHRM2CHRM1
SCHEMBL3039547 0.74 MCL1 (0.36) MCL1MLYCDNR1D1SMN1; SMN2CHRM2

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-7557211-B2 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-7557211-B2 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-7557211-B2 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20060128741-A1 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 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-20060128741-A1 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same IL4, IL5, CYP4B1 MCL1 2134/4885MLYCD 2321/4885NR1D1 170/4885

“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.