SCHEMBL532196

SCHEMBL532196

COc1ccc(-c2nn3c(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cnc3s2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.55
CFTR P13569 2/20 0.53
SMPD3 Q9NY59 2/20 0.51
GPR119 Q8TDV5 3/20 0.47
FYN P06241 2/20 0.45
GAK O14976 2/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MMP13 P45452 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL16986792 0.88 PIK3CA (0.54) PIK3CACFTRSMPD3FYNKDM4E
SCHEMBL2121133 0.86 PIK3CA (0.77) PIK3CACFTRSMPD3FYNGAK
SCHEMBL533182 0.84 PIK3CA (0.71) PIK3CAFYNGAKMKNK1MKNK2
SCHEMBL532197 0.84 SMPD3 (0.49) PIK3CACFTRSMPD3GPR119GAK
SCHEMBL15975820 0.83 PIK3CA (0.59) PIK3CACFTRSMPD3FYNMMP13
SCHEMBL533110 0.82 PIK3CA (0.70) PIK3CACFTRSMPD3GPR119FYN
SCHEMBL532217 0.82 PIK3CA (0.64) PIK3CACFTRFYNKDM4EUSP2
SCHEMBL532685 0.80 PIK3CA (0.57) PIK3CACFTRGPR119FYNMMP13
SCHEMBL532633 0.77 PIK3CA (0.74) PIK3CAFYNKDM4EUSP2ALDH1A1
SCHEMBL532710 0.76 PIK3CA (0.58) PIK3CACFTR

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 9 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
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-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US 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 1/4885CFTR 2067/4885SMPD3 520/4885

“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.