SCHEMBL3614883

SCHEMBL3614883

CS(=O)(=O)N1CCN(c2[nH]c(-c3ccnc(C=Cc4ccc(F)cc4)c3)cc2C(N)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 7/20 0.46
CYP21A2 P08686 7/20 0.46
CYP11B1 P15538 6/20 0.46
MAPKAPK2 P49137 6/20 0.46
CDC7 O00311 2/20 0.39
MAPK1 P28482 2/20 0.38
KIT P10721 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
IKBKB O14920 1/20 0.38
AURKA O14965 1/20 0.38
CHUK O15111 1/20 0.38
MAPK13 O15264 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL3614881 1.00 CYP17A1 (0.46) CYP17A1CYP21A2CYP11B1MAPKAPK2CDC7
SCHEMBL27759523 0.91 MAPKAPK2 (0.43) CYP17A1CYP21A2CYP11B1MAPKAPK2CDC7
SCHEMBL3616381 0.89 MAPKAPK2 (0.50) MAPKAPK2CDC7MAPK1KITPLK4
SCHEMBL3616384 0.89 MAPKAPK2 (0.50) MAPKAPK2CDC7MAPK1KITPLK4
SCHEMBL3611782 0.87 MAPKAPK2 (0.48) MAPKAPK2CDC7MAPK1KITPLK4
SCHEMBL3611785 0.87 MAPKAPK2 (0.48) MAPKAPK2CDC7MAPK1KITPLK4
SCHEMBL3609560 0.86 MAPKAPK2 (0.50) MAPKAPK2CDC7MAPK1KITPLK4
SCHEMBL3609561 0.86 MAPKAPK2 (0.50) MAPKAPK2CDC7MAPK1KITPLK4
SCHEMBL3609550 0.85 MAPKAPK2 (0.47) MAPKAPK2CDC7MAPK1KITPLK4
SCHEMBL3609546 0.85 MAPKAPK2 (0.47) MAPKAPK2CDC7MAPK1KITPLK4

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 CYP17A1 149/4885CYP21A2 42/4885CYP11B1 56/4885

“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.