SCHEMBL533118

SCHEMBL533118

COc1ccc(-c2nn3c(C)c(-c4ccc(C#N)nc4)nc3s2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.71
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 5/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
DCTPP1 Q9H773 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 7/20 0.44
SIRT1 Q96EB6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
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

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
SCHEMBL533117 0.87 PIK3CA (0.76) PIK3CAKDM4EALDH1A1MAPK1TSHR
SCHEMBL532926 0.85 PIK3CA (0.74) PIK3CAKDM4EALDH1A1MAPK1TSHR
SCHEMBL532677 0.85 ALDH1A1 (0.59) PIK3CAKDM4EALDH1A1MAPK1TSHR
SCHEMBL2120634 0.85 PIK3CA (0.58) PIK3CAKDM4EALDH1A1MAPK1TSHR
SCHEMBL532016 0.83 PIK3CA (1.00) PIK3CAKDM4EALDH1A1MAPK1TSHR
SCHEMBL532476 0.83 PIK3CA (0.59) PIK3CAKDM4EALDH1A1MAPK1TSHR
SCHEMBL532154 0.81 KDM4E (0.56) PIK3CAKDM4EALDH1A1MAPK1TSHR
SCHEMBL532017 0.79 PIK3CA (0.67) PIK3CAKDM4EALDH1A1MAPK1TSHR
SCHEMBL532284 0.77 PIK3CA (0.58) PIK3CAKDM4EALDH1A1MAPK1TSHR
SCHEMBL532192 0.75 ALDH1A1 (0.58) PIK3CAKDM4EALDH1A1MAPK1TSHR

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 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
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 1/4885KDM4E 2479/4885ALDH1A1 1167/4885

“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.