Sugi Predict

Sugi Predict / Compounds / SCHEMBL2248196

SCHEMBL2248196

SCHEMBL2248196

Cn1cnc(Nc2cc(Cl)nc(Cl)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ ITK Q08881 1/20 0.37
▸ JAK3 P52333 10/20 0.36
▸ LYN P07948 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ JAK1 P23458 6/20 0.33
▸ CSNK2A2 P19784 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ RET P07949 1/20 0.33
▸ FGR P09769 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ SIK1 P57059 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
SCHEMBL16794293 0.79 NPC1 (0.45) JAK2PAK4ITKJAK3LYN
SCHEMBL1396069 0.78 JAK2 (0.42) JAK2PAK4JAK3JAK1CSNK2A2
SCHEMBL17398025 0.72 ITK (0.63) JAK2PAK4ITKJAK3LYN
SCHEMBL17413480 0.72 ITK (0.39) JAK2PAK4ITKJAK3LYN
SCHEMBL3265610 0.72 JAK2 (0.44) JAK2PAK4JAK3LYNSRC
SCHEMBL2243514 0.72 JAK2 (0.55) JAK2PAK4JAK3JAK1CSNK2A2
SCHEMBL12363477 0.71 JAK2 (0.70) JAK2PAK4JAK3JAK1CSNK2A2
SCHEMBL2243672 0.71 JAK2 (0.63) JAK2PAK4JAK3JAK1CSNK2A2
SCHEMBL20765454 0.71 PAK4 (0.45) JAK2PAK4ITKJAK3LYN
SCHEMBL30198931 0.71 PAK4 (0.45) JAK2PAK4ITKJAK3LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117355508-A Heterocyclic derivative and application thereof in medicine 西藏海思科制药有限公司 2024-01-05 — — CN disclosed
WO-2022078305-A1 HETEROCYCLIC DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-04-21 — — WO disclosed
WO-2022078305-A1 HETEROCYCLIC DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-04-21 — — WO disclosed
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 — — US disclosed
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 — — US disclosed
WO-2010038060-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-04-08 — — WO disclosed
WO-2010038060-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-04-08 — — WO disclosed
WO-2010020810-A1 2-(IMIDAZ0LYLAMIN0)-PYRIDINE DERIVATIVES AND THEIR USE AS JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-02-25 — — WO 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-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885PAK4 550/4885ITK 483/4885

“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.