SCHEMBL532218

SCHEMBL532218

COc1ccc(-c2nn3cc(-c4cnc(N5CCNCC5)nc4)nc3s2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.46
ACVR1 Q04771 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
PIK3CA P42336 5/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DCTPP1 Q9H773 1/20 0.42
IL2 P60568 3/20 0.42
MAP4K1 Q92918 3/20 0.42
CHEK1 O14757 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL533183 0.90 PIK3CA (0.51) KDM4EALDH1A1MAPK1HSD17B10CYP1A2
SCHEMBL532220 0.84 PIK3CA (0.59) TGFBR1ACVR1KDM4EALDH1A1MAPK1
SCHEMBL532197 0.83 SMPD3 (0.49) KDM4EALDH1A1MAPK1HSD17B10CYP1A2
SCHEMBL532217 0.82 PIK3CA (0.64) TGFBR1ACVR1KDM4EALDH1A1MAPK1
SCHEMBL532634 0.81 KDM4E (0.62) KDM4EALDH1A1MAPK1HSD17B10CYP1A2
SCHEMBL532290 0.80 KDM4E (0.51) KDM4EALDH1A1MAPK1HSD17B10CYP1A2
SCHEMBL2121456 0.79 PIK3CA (0.71) TGFBR1ACVR1KDM4EALDH1A1MAPK1
SCHEMBL2120460 0.79 KDM4E (0.49) KDM4EALDH1A1MAPK1HSD17B10CYP1A2
SCHEMBL2122634 0.78 PIK3CA (0.59) KDM4EALDH1A1MAPK1HSD17B10CYP1A2
SCHEMBL532017 0.77 PIK3CA (0.67) KDM4EALDH1A1MAPK1HSD17B10CYP1A2

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 TGFBR1 1826/4885ACVR1 2172/4885KDM4E 2479/4885

“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.