SCHEMBL532104

SCHEMBL532104

CC(=O)Nc1cccc(-c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.55
CYP3A4 P08684 1/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
FYN P06241 2/20 0.45
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
USP7 Q93009 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL452469 0.87 PIK3CA (0.73) PIK3CAFGFR3KDRFYNKDM4E
SCHEMBL532103 0.84 PIK3CA (0.76) PIK3CACYP3A4FYN
SCHEMBL533328 0.84 PIK3CA (0.49) PIK3CA
SCHEMBL533129 0.82 PIK3CA (0.71) PIK3CA
SCHEMBL2120594 0.82 PIK3CA (0.56) PIK3CAGAA
SCHEMBL2121698 0.82 PIK3CA (0.49) PIK3CAFYN
SCHEMBL532239 0.80 ALPL (0.48) PIK3CA
SCHEMBL532669 0.80 PIK3CA (0.54) PIK3CA
SCHEMBL533618 0.80 PIK3CA (0.51) PIK3CA
SCHEMBL532032 0.78 PIK3CA (0.68) PIK3CACYP3A4PIK3CDPIK3CBPIK3CG

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 PIK3CA 1/4885CYP3A4 431/4885PIK3CD 3/4885

“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.