SCHEMBL5166655

SCHEMBL5166655

Cc1nc(-c2ccc(N3CCC(Cc4cccnc4N4CCN(C)CC4)C3=O)cc2)co1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.41
ELANE P08246 4/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
P2RX3 P56373 2/20 0.36
POLB P06746 4/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL5180557 0.95 ELANE (0.38) ROCK2ELANEGSK3BDYRK1AP2RX3
SCHEMBL5163793 0.86 ROCK2 (0.42) ROCK2ELANEP2RX3
SCHEMBL5178983 0.85 ELANE (0.37) ROCK2ELANE
SCHEMBL5178175 0.85 ELANE (0.36) ROCK2ELANE
SCHEMBL5167694 0.83 ROCK2 (0.41) ROCK2ELANE
SCHEMBL5167282 0.82 JAK3 (0.44) ROCK2ELANEGSK3BDYRK1A
SCHEMBL5606187 0.82 POLB (0.44) ROCK2GSK3BDYRK1AP2RX3POLB
SCHEMBL5846130 0.82 POLB (0.39) ROCK2ELANEGSK3BDYRK1AP2RX3
SCHEMBL5606422 0.82 POLB (0.44) ROCK2GSK3BDYRK1AP2RX3POLB
SCHEMBL1737749 0.82 POLB (0.44) ROCK2GSK3BDYRK1AP2RX3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768975-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Inc. (US) 2007-04-04 EP claimed
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders PFIZER INC 2006-02-02 US claimed
WO-2006000912-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-01-05 WO claimed
EP-1768975-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Inc. (US) 2007-04-04 EP disclosed
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders PFIZER INC 2006-02-02 US disclosed
WO-2006000912-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-01-05 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-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders TPH2, HTR1A, TPH1 ROCK2 769/4885ELANE 4841/4885GSK3B 614/4885

“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.