SCHEMBL2123322

SCHEMBL2123322

COc1ccc(-c2nn3c(-c4cnc(N)c(C#N)c4)cnc3s2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 1.00
KDM4E B2RXH2 5/20 0.47
FYN P06241 4/20 0.47
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DCTPP1 Q9H773 1/20 0.44
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.43
STAT6 P42226 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
SCHEMBL15975824 0.90 PIK3CA (0.82) PIK3CAKDM4EFYNMAPK1ALDH1A1
SCHEMBL532016 0.83 PIK3CA (1.00) PIK3CAKDM4EFYNMAPK1ALDH1A1
SCHEMBL15975809 0.83 PIK3CA (0.77) PIK3CAKDM4EFYNMAPK1ALDH1A1
SCHEMBL532633 0.82 PIK3CA (0.74) PIK3CAKDM4EFYNMAPK1ALDH1A1
SCHEMBL2123324 0.82 PIK3CA (0.70) PIK3CAKDM4EMAPK1ALDH1A1TSHR
SCHEMBL2616026 0.79 PIK3CA (0.66) PIK3CAKDM4EFYNMAPK1ALDH1A1
SCHEMBL532289 0.77 PIK3CA (0.67) PIK3CAKDM4EFYNMAPK1ALDH1A1
SCHEMBL532334 0.77 PIK3CA (0.64) PIK3CAKDM4EFYNMAPK1ALDH1A1
SCHEMBL2120454 0.75 PIK3CA (0.64) PIK3CAKDM4EFYNMAPK1ALDH1A1
SCHEMBL15975812 0.75 PIK3CA (0.64) PIK3CAKDM4EFYNMAPK1ALDH1A1

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 6 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
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

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 1/4885KDM4E 2479/4885FYN 1445/4885

“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.