SCHEMBL2641385

SCHEMBL2641385

Nc1c(NC2CCOCC2)nc(Cl)nc1N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.60
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
CHRM3 P20309 1/20 0.47
CTSS P25774 2/20 0.41
KCNH2 Q12809 1/20 0.41
CTSL P07711 1/20 0.41
PIK3CA P42336 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
SYK P43405 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
SCHEMBL12069171 0.90 CTSK (0.50) CTSKPDE4APDE4BPDE4CPDE4D
SCHEMBL3408131 0.90 CTSK (0.55) CTSKPDE4APDE4BPDE4CPDE4D
SCHEMBL14840927 0.87 CTSK (0.47) CTSKPDE4APDE4BPDE4CPDE4D
SCHEMBL4534497 0.86 CTSK (0.51) CTSKPDE4APDE4BPDE4CPDE4D
SCHEMBL14852934 0.84 PDE4A (0.64) CTSKPDE4APDE4BPDE4CPDE4D
SCHEMBL3407025 0.82 PIK3CA (0.49) CTSKPIK3CAKDM4EGAA
SCHEMBL12068688 0.82 PDE4A (0.43) CTSKPDE4APDE4BPDE4CPDE4D
SCHEMBL14849908 0.82 PDE4A (0.43) CTSKPDE4APDE4BPDE4CPDE4D
SCHEMBL14841528 0.81 CTSK (0.42) CTSKPIK3CASMN1; SMN2MAPK1
SCHEMBL3401953 0.80 PIK3CA (0.49) CTSKPIK3CASMN1; SMN2MAPK1

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
US-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2014-06-19 US disclosed
US-20140171429-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-19 US disclosed
EP-2582703-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-04-24 EP disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 WO disclosed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 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 (3 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-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES JAK1, JAK3, JAK2 CTSK 3402/4885PDE4A 2422/4885PDE4B 2659/4885
US-20140171429-A1 BICYCLIC INHIBITORS OF ALK ALK, ACVR1, ACVR1B CTSK 2270/4885PDE4A 2146/4885PDE4B 1969/4885
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 CTSK 1376/4885PDE4A 2708/4885PDE4B 3179/4885

“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.