SCHEMBL2124319

SCHEMBL2124319

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3nn4cc(-c5cnc(N)c(C(F)(F)F)c5)nc4s3)cc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.38
PIK3CD O00329 2/20 0.38
MET P08581 3/20 0.36
SYK P43405 1/20 0.36
F2RL3 Q96RI0 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
MAP3K12 Q12852 3/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL2124315 0.88 PIK3CA (0.53) PIK3CAPIK3CDMETSYKMAP3K12
SCHEMBL2122854 0.86 PIK3CA (0.42) PIK3CAPIK3CDMETF2RL3PIK3CB
SCHEMBL15975840 0.84 PIK3CA (0.47) PIK3CAPIK3CDMETSYK
SCHEMBL532361 0.83 PIK3CD (0.38) PIK3CD
SCHEMBL627432 0.79 RET (0.40) PIK3CAMAP3K12
SCHEMBL532711 0.79 PIK3CA (0.44) PIK3CAPIK3CDF2RL3PIK3CBPIK3CG
SCHEMBL627020 0.78 RET (0.40) PIK3CAF2RL3MAP3K12
SCHEMBL625422 0.77 PIK3CA (0.42) PIK3CAF2RL3MAP3K12
SCHEMBL532360 0.77 PIK3CD (0.38) PIK3CDGPR119
SCHEMBL2121138 0.76 PIK3CA (0.56) PIK3CAF2RL3

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 4 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

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 3/4885MET 967/4885

“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.