SCHEMBL532032

SCHEMBL532032

Cc1ccc(-c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)cn1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.68
F2RL3 Q96RI0 1/20 0.47
MAP3K12 Q12852 3/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL533618 0.87 PIK3CA (0.51) PIK3CAF2RL3MAP3K12CA12CA1
SCHEMBL532339 0.86 PIK3CA (0.70) PIK3CAF2RL3CA12CA1CA2
SCHEMBL532388 0.84 PIK3CA (0.50) PIK3CAF2RL3CA12CA1CA2
SCHEMBL15961348 0.84 PIK3CA (0.49) PIK3CAF2RL3MAP3K12CA12CA1
SCHEMBL532292 0.82 PIK3CA (0.46) PIK3CAF2RL3MAP3K12TP53MEN1
SCHEMBL2121280 0.82 PIK3CA (0.57) PIK3CAF2RL3CA12CA1CA2
SCHEMBL2120594 0.81 PIK3CA (0.56) PIK3CAF2RL3CA12CA1CA2
SCHEMBL532369 0.81 PIK3CA (0.72) PIK3CAF2RL3MAP3K12CA12CA1
SCHEMBL2121698 0.81 PIK3CA (0.49) PIK3CAF2RL3MAP3K12CA12CA1
SCHEMBL532031 0.81 PIK3CA (1.00) PIK3CANPC1MAPTRAB9ASMN1; SMN2

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 1/4885F2RL3 2944/4885MAP3K12 128/4885

“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.