SCHEMBL532072

SCHEMBL532072

COc1cc(-c2nn3c(C)c(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)ccc1OCCNC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.53
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.37
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
STAT6 P42226 1/20 0.36

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
SCHEMBL532071 0.90 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGKDM4E
SCHEMBL532284 0.88 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGKDM4E
SCHEMBL2123270 0.86 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGKDM4E
SCHEMBL532398 0.84 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL533078 0.83 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL15976340 0.82 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGLMNA
SCHEMBL532283 0.77 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGKDM4E
SCHEMBL532165 0.75 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGKDM4E
SCHEMBL532476 0.74 PIK3CA (0.59) PIK3CAKDM4EALDH1A1USP2LMNA
SCHEMBL3513467 0.73 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CG

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
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 claimed
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 PIK3CA 1/4885PIK3CD 3/4885PIK3CB 6/4885

“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.