SCHEMBL532033

SCHEMBL532033

COc1ccc(-c2ccc3nc(C)c(I)n3n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.62
FYN P06241 15/20 0.61
PIK3CA P42336 2/20 0.57
PIK3CD O00329 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATR Q13535 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL13595838 0.85 PIK3CA (0.67) BRD4FYNPIK3CAPIK3CDPIK3CB
SCHEMBL4055809 0.85 PIK3CA (0.61) BRD4FYNPIK3CAPIK3CDPIK3CB
SCHEMBL3514270 0.84 BRD4 (0.62) BRD4FYNPIK3CAPIK3CDPIK3CB
SCHEMBL3511742 0.82 BRD4 (0.60) BRD4FYNPIK3CAPIK3CDPIK3CB
SCHEMBL4054305 0.80 PIK3CA (0.61) BRD4FYNPIK3CAPIK3CDPIK3CB
SCHEMBL4053277 0.80 PIK3CA (0.67) BRD4FYNPIK3CAPIK3CDPIK3CB
SCHEMBL3512252 0.80 GLA (0.59) BRD4FYNPIK3CAPIK3CDPIK3CB
SCHEMBL3514744 0.80 PIK3CA (0.66) BRD4FYNPIK3CAPIK3CDPIK3CB
SCHEMBL3512458 0.80 PIK3CA (0.69) BRD4FYNPIK3CAPIK3CDPIK3CB
SCHEMBL4054806 0.79 PIK3CA (0.63) BRD4FYNPIK3CAPIK3CDPIK3CB

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 BRD4 537/4885FYN 1445/4885PIK3CA 1/4885

“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.