SCHEMBL532014

SCHEMBL532014

COc1cc(-c2nn3cc(I)nc3s2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.51
PDE4A P27815 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
PIK3CA P42336 3/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
CACNB4 O00305 1/20 0.45
CACNA1A O00555 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNG3 O60359 1/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNB3 P54284 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNG7 P62955 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNB1 Q02641 1/20 0.45

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
SCHEMBL2123328 0.86 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPIK3CA
SCHEMBL533111 0.85 PIK3CA (0.51) PDE4BPDE4APDE4CPDE4DPIK3CA
SCHEMBL532013 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPIK3CA
SCHEMBL532711 0.82 PIK3CA (0.44) PDE4BPDE4APDE4CPDE4DPIK3CA
SCHEMBL15975820 0.78 PIK3CA (0.59) PDE4BPDE4APDE4CPDE4DPIK3CA
SCHEMBL532199 0.78 ALDH1A1 (0.61) PIK3CAKDM4EALDH1A1HPGDMEN1
SCHEMBL533110 0.78 PIK3CA (0.70) PDE4BPDE4APDE4CPDE4DPIK3CA
SCHEMBL532685 0.78 PIK3CA (0.57) PDE4BPDE4APDE4CPDE4DPIK3CA
SCHEMBL532197 0.74 SMPD3 (0.49) PIK3CASMPD3CFTRKDM4EALDH1A1
SCHEMBL532710 0.73 PIK3CA (0.58) PDE4BPDE4APDE4CPDE4DPIK3CA

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 PDE4B 1069/4885PDE4A 1044/4885PDE4C 1562/4885

“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.