SCHEMBL532646

SCHEMBL532646

CS(=O)(=O)c1cccc(-c2nn3cc(I)nc3s2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.45
CA1 P00915 9/20 0.45
CA2 P00918 9/20 0.45
CA9 Q16790 9/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CD O00329 1/20 0.43
PIK3CG P48736 1/20 0.43
TP53 P04637 1/20 0.43
JAK2 O60674 2/20 0.42
KCNH2 Q12809 3/20 0.40
F2RL3 Q96RI0 1/20 0.40
JAK3 P52333 1/20 0.40
LOXL2 Q9Y4K0 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
SCHEMBL532982 0.80 MAPK1 (0.58) PIK3CA
SCHEMBL532890 0.80 IKBKB (0.46) CA12CA1CA2CA9TP53
SCHEMBL532623 0.78 DCTPP1 (0.47) CA12CA1CA2CA9TP53
SCHEMBL2253625 0.77 TP53 (0.69) CA12CA1CA2CA9TP53
SCHEMBL533516 0.77 PDE4D (0.47) CA12CA1CA2CA9TP53
SCHEMBL532390 0.76 SMN1; SMN2 (0.53) TP53
SCHEMBL532645 0.76 PIK3CA (0.59) PIK3CAJAK2KCNH2LOXL2
SCHEMBL533129 0.74 PIK3CA (0.71) CA12CA1CA2CA9PIK3CA
SCHEMBL532199 0.71 ALDH1A1 (0.61) CA12CA1CA2CA9PIK3CA
SCHEMBL532352 0.68 PIK3CA (0.41) CA12CA1CA2CA9PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414369-B1 IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-12 EP disclosed
US-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed
US-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-19 US disclosed
EP-2414369-A1 IMIDAZO [2, 1-B][ 1, 3, 4]THIADIAZOLE DERIVATIVES Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-02-08 EP disclosed
WO-2010112874-A1 IMIDAZO [2, 1-B] [ 1, 3, 4 ] THIADIAZOLE DERIVATIVES CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2010-10-07 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-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives PIK3CA, PI4KA, PIK3CD CA12 4737/4885CA1 4225/4885CA2 2269/4885

“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.