SCHEMBL532339

SCHEMBL532339

COc1ccc(-c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.70
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
F2RL3 Q96RI0 7/20 0.53
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
TP53 P04637 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 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
SCHEMBL2120594 0.89 PIK3CA (0.56) PIK3CACA12CA1CA2CA9
SCHEMBL2123352 0.88 PIK3CA (0.70) PIK3CACA12CA1CA2CA9
SCHEMBL532032 0.86 PIK3CA (0.68) PIK3CACA12CA1CA2CA9
SCHEMBL15961348 0.84 PIK3CA (0.49) PIK3CACA12CA1CA2CA9
SCHEMBL532388 0.82 PIK3CA (0.50) PIK3CACA12CA1CA2CA9
SCHEMBL532338 0.82 PIK3CA (1.00) PIK3CAALPLALPIPIK3CDPIK3CB
SCHEMBL532740 0.81 PIK3CA (0.73) PIK3CACA12CA1CA2CA9
SCHEMBL533618 0.81 PIK3CA (0.51) PIK3CACA12CA1CA2CA9
SCHEMBL2121280 0.80 PIK3CA (0.57) PIK3CACA12CA1CA2CA9
SCHEMBL532369 0.80 PIK3CA (0.72) PIK3CACA12CA1CA2CA9

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 1/4885CA12 4737/4885CA1 4225/4885

“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.