SCHEMBL532290

SCHEMBL532290

COc1ccc(-c2nn3cc(-c4cnc(SC)nc4)nc3s2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PIK3CA P42336 3/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
F2RL3 Q96RI0 9/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DCTPP1 Q9H773 1/20 0.44
TP53 P04637 1/20 0.43
NPC1 O15118 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
SCHEMBL532634 0.86 KDM4E (0.62) KDM4EMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL2120460 0.83 KDM4E (0.49) KDM4EMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL532017 0.81 PIK3CA (0.67) KDM4EMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL533183 0.81 PIK3CA (0.51) KDM4EMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL532747 0.80 ALDH1A1 (0.64) KDM4EMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL532218 0.80 TGFBR1 (0.46) KDM4EMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL532335 0.80 CA12 (0.53) KDM4EMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL532289 0.79 PIK3CA (0.67) KDM4EMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL2123324 0.79 PIK3CA (0.70) KDM4EMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL2123426 0.79 KDM4E (0.44) KDM4EMAPK1ALDH1A1HSD17B10HPGD

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 KDM4E 2479/4885MAPK1 191/4885ALDH1A1 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.