Sugi Predict

Sugi Predict / Compounds / SCHEMBL473436

SCHEMBL473436

SCHEMBL473436

CCC(CC)(CC)NN(c1ccc(Cl)cc1)C1CCN(c2ncnc3[nH]nc(Br)c23)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 6/20 0.37
▸ JAK1 P23458 2/20 0.36
▸ AKT1 P31749 4/20 0.36
▸ AKT2 P31751 3/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ STK4 Q13043 2/20 0.34
▸ STK3 Q13188 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CHIT1 Q13231 1/20 0.34
▸ CHIA Q9BZP6 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ KIT P10721 1/20 0.33

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
SCHEMBL473317 0.81 CHRM4 (0.41) RPS6KB1JAK1AKT1AKT2GSK3B
SCHEMBL15252736 0.80 CHIT1 (0.44) RPS6KB1JAK1AKT1AKT2GSK3B
SCHEMBL473346 0.80 CHRM4 (0.44) RPS6KB1JAK1AKT1AKT2GSK3B
SCHEMBL15252826 0.79 CHIT1 (0.43) RPS6KB1JAK1AKT1AKT2GSK3B
SCHEMBL10158899 0.78 JAK2 (0.37) RPS6KB1JAK1AKT1AKT2GSK3B
SCHEMBL473319 0.78 JAK2 (0.37) RPS6KB1JAK1AKT1JAK2JAK3
SCHEMBL473309 0.77 POLB (0.45) RPS6KB1AKT1AKT2GSK3BSTK4
SCHEMBL473413 0.77 AKT1 (0.38) RPS6KB1JAK1AKT1AKT2JAK2
SCHEMBL10158746 0.76 AKT1 (0.39) RPS6KB1JAK1AKT1AKT2CHRM4
SCHEMBL473320 0.75 AKT1 (0.42) RPS6KB1JAK1AKT1AKT2CHIT1

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
EP-1848719-B1 [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES EXELIXIS INC (US) 2012-02-01 — — EP disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 — — US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 — — 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-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases PDPK1, MTOR, RPS6KA2 RPS6KB1 10/4885JAK1 376/4885AKT1 14/4885

“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.