SCHEMBL532152

SCHEMBL532152

N#Cc1ccc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.73
MKNK1 Q9BUB5 8/20 0.51
MKNK2 Q9HBH9 8/20 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
SCHEMBL532238 0.89 PIK3CA (0.68) PIK3CAMKNK1MKNK2
SCHEMBL15975832 0.88 PIK3CA (0.59) PIK3CAMKNK1MKNK2
SCHEMBL532338 0.84 PIK3CA (1.00) PIK3CA
SCHEMBL532031 0.83 PIK3CA (1.00) PIK3CA
SCHEMBL15975831 0.83 PIK3CA (0.73) PIK3CA
SCHEMBL532387 0.82 PIK3CA (0.72) PIK3CA
SCHEMBL15961348 0.82 PIK3CA (0.49) PIK3CA
SCHEMBL533617 0.80 PIK3CA (0.76) PIK3CA
SCHEMBL532368 0.78 PIK3CA (1.00) PIK3CA
SCHEMBL532090 0.78 PIK3CA (1.00) PIK3CA

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 8 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-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
CN-102388055-A Imidazo [2, 1-b] [ 1, 3, 4 ] thiadiazole derivatives CT NAC INVESTIGACIONES ONCOLOGICAS CNIO 2012-03-21 CN 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 1/4885MKNK1 318/4885MKNK2 336/4885

“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.