SCHEMBL5042856

SCHEMBL5042856

Cc1cc(N2CCCC2CO)c2ccc(OCc3ccc(C#N)nc3)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 12/20 0.41
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
SPHK1 Q9NYA1 12/20 0.37
ACVR1 Q04771 1/20 0.36
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 1/20 0.34
METTL3 Q86U44 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
SCHEMBL6377060 1.00 SPHK2 (0.41) SPHK2JAK2JAK1TYK2JAK3
SCHEMBL5035995 0.90 SPHK2 (0.53) SPHK2SPHK1SCN7AKCNH2
SCHEMBL5035994 0.90 SPHK2 (0.53) SPHK2SPHK1SCN7AKCNH2
SCHEMBL5040525 0.90 SPHK2 (0.53) SPHK2SPHK1SCN7AKCNH2
SCHEMBL5523005 0.87 SPHK2 (0.49) SPHK2SPHK1ACVR1SCN7AKCNH2
SCHEMBL5523009 0.87 SPHK2 (0.49) SPHK2SPHK1ACVR1SCN7AKCNH2
SCHEMBL5037485 0.87 ALOX5AP (0.35) SPHK2SPHK1ACVR1
SCHEMBL5037480 0.87 ALOX5AP (0.35) SPHK2SPHK1ACVR1
SCHEMBL5529499 0.86 SPHK2 (0.41) SPHK2SPHK1ACVR1
SCHEMBL5529495 0.86 SPHK2 (0.41) SPHK2SPHK1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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 (2 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R SPHK2 3483/4885JAK2 232/4885JAK1 1251/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R SPHK2 3483/4885JAK2 232/4885JAK1 1251/4885

“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.