Sugi Predict

Sugi Predict / Compounds / SCHEMBL3077878

SCHEMBL3077878

SCHEMBL3077878

COc1ccc2nccc(-n3cc4c(n3)CCN(C(=O)OC(C)(C)C)CC4)c2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ MAP4K4 O95819 1/20 0.38
▸ CYP8B1 Q9UNU6 1/20 0.38
▸ GRM5 P41594 3/20 0.38
▸ TBK1 Q9UHD2 2/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ SLC34A1 Q06495 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ GRM1 Q13255 2/20 0.35
▸ CFTR P13569 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL3062199 0.79 MAP4K4 (0.37) MAP4K4CYP8B1CFTRJAK2JAK1
SCHEMBL3059425 0.77 NCF1 (0.36) CYP8B1
SCHEMBL3733037 0.76 CYP8B1 (0.34) CYP8B1
SCHEMBL8056922 0.75 GRM5 (0.51) MAPTGRM5GPR119ESR2NR1H2
SCHEMBL1224706 0.75 CYP8B1 (0.44) MAPTMAP4K4CYP8B1TBK1DDB1
SCHEMBL5746655 0.75 HRH3 (0.44) MAP4K4CYP8B1TBK1DDB1CRBN
SCHEMBL3059365 0.74 CYP8B1 (0.35) CYP8B1
SCHEMBL3064003 0.74 POLB (0.45) MAPTGRM5POLB
SCHEMBL3066931 0.74 ACVR1 (0.35) CYP8B1
SCHEMBL24008962 0.74 MAPT (0.48) MAPTCYP8B1ESR2NR1H2PDK2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 — — US disclosed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 — — US disclosed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 — — US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 — — US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 — — US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 — — US disclosed
US-7842810-B2 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide JANSSEN PHARMACEUTICA, NV (BE) 2010-11-30 — — US disclosed
US-7842810-B2 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide JANSSEN PHARMACEUTICA, NV (BE) 2010-11-30 — — US disclosed
US-7842810-B2 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide JANSSEN PHARMACEUTICA, NV (BE) 2010-11-30 — — US disclosed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 — — US disclosed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 — — US disclosed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 — — US disclosed
US-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 — — US disclosed
US-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 — — US disclosed
US-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 — — US disclosed
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 — — US disclosed
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 — — US disclosed
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 — — US disclosed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — 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 (4 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-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 MAPT 4108/4885MAP4K4 2209/4885CYP8B1 613/4885
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents NOD2, BAK1, CASP3 MAPT 4108/4885MAP4K4 2209/4885CYP8B1 613/4885
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS PIR, BAK1, TMBIM6 MAPT 4598/4885MAP4K4 4162/4885CYP8B1 462/4885
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 MAPT 4108/4885MAP4K4 2209/4885CYP8B1 613/4885

“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.