Sugi Predict

Sugi Predict / Compounds / SCHEMBL3883442

SCHEMBL3883442

SCHEMBL3883442

COc1ccc(CN(C(=O)OC(C)(C)C)c2nc(N)c(Cl)c3c2ncn3C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ BCL2A1 Q16548 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PDE8B O95263 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2768830 0.90 MCL1 (0.36) CCNE2CCNE1CDK2MCL1ALDH1A1
SCHEMBL2771027 0.83 CCNE2 (0.38) CCNE2CCNE1CDK2MCL1BCL2A1
SCHEMBL12344336 0.82 MAPK14 (0.36) MCL1PTPN1KDM4E
SCHEMBL3039547 0.82 MCL1 (0.36) CCNE2CCNE1CDK2MCL1ALDH1A1
SCHEMBL3552048 0.81 RXFP1 (0.37) MCL1ALDH1A1GAANPSR1HTT
SCHEMBL12344295 0.80 CLK4 (0.38) MCL1ALDH1A1GLACASP1HSD17B10
SCHEMBL3993164 0.80 MCL1 (0.34) CCNE2CCNE1CDK2MCL1CHRM2
SCHEMBL12341902 0.80 GRM5 (0.34) MCL1KDM4E
SCHEMBL2766609 0.80 VNN1 (0.34) MCL1ALDH1A1KDM4EGAAHPGD
SCHEMBL3884245 0.80 MCL1 (0.34) CCNE2CCNE1CDK2MCL1CHRM2

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 CCNE2 1080/4885CCNE1 1541/4885CDK2 559/4885

“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.