Sugi Predict

Sugi Predict / Compounds / SCHEMBL3609550

SCHEMBL3609550

SCHEMBL3609550

NC(=O)c1cc(-c2ccnc(C=Cc3ccc(F)cc3)c2)[nH]c1N1CCC(N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 9/20 0.47
▸ CDC7 O00311 7/20 0.43
▸ GSK3B P49841 3/20 0.39
▸ AURKA O14965 2/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ LCK P06239 2/20 0.39
▸ MET P08581 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ MAPKAPK5 Q8IW41 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ DAPK3 O43293 1/20 0.39

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
SCHEMBL3609546 1.00 MAPKAPK2 (0.47) MAPKAPK2CDC7GSK3BAURKAJAK2
SCHEMBL3619354 0.96 MAPKAPK2 (0.46) MAPKAPK2CDC7GSK3BAURKAJAK2
SCHEMBL3622936 0.96 MAPKAPK2 (0.46) MAPKAPK2CDC7GSK3BAURKAJAK2
SCHEMBL3616384 0.91 MAPKAPK2 (0.50) MAPKAPK2CDC7GSK3BAURKAJAK2
SCHEMBL3616381 0.91 MAPKAPK2 (0.50) MAPKAPK2CDC7GSK3BAURKAJAK2
SCHEMBL3611785 0.89 MAPKAPK2 (0.48) MAPKAPK2CDC7GSK3BAURKAJAK2
SCHEMBL3611782 0.89 MAPKAPK2 (0.48) MAPKAPK2CDC7GSK3BAURKAJAK2
SCHEMBL3609560 0.88 MAPKAPK2 (0.50) MAPKAPK2CDC7GSK3BAURKAJAK2
SCHEMBL3609561 0.88 MAPKAPK2 (0.50) MAPKAPK2CDC7GSK3BAURKAJAK2
SCHEMBL14283181 0.88 MAPKAPK2 (0.47) MAPKAPK2CDC7GSK3BAURKAJAK2

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
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 — — US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 — — EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 — — WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 — — US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 — — EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 — — 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 MAPKAPK2 4395/4885CDC7 4089/4885GSK3B 1931/4885

“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.