SCHEMBL532523

SCHEMBL532523

CN(C)c1cccc(-c2nn3c(I)cnc3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.56
FYN P06241 3/20 0.46
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 5/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 5/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
TSHR P16473 5/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.38
STAT6 P42226 1/20 0.38

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
SCHEMBL2253622 0.79 NPSR1 (0.53) DCTPP1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL532389 0.76 FYN (0.53) FYNKDM4EALDH1A1HSD17B10MAPT
SCHEMBL532623 0.74 DCTPP1 (0.47) DCTPP1FYNKDM4EALDH1A1HSD17B10
SCHEMBL2121693 0.74 PIK3CA (0.70) DCTPP1FYNPIK3CA
SCHEMBL2895805 0.73 DCTPP1 (0.70) DCTPP1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL15975829 0.73 PIK3CA (0.61) DCTPP1FYNPIK3CA
SCHEMBL532868 0.72 BRD4 (0.47) FYNHSD17B10MAPTNPC1RAB9A
SCHEMBL532351 0.71 PIK3CA (0.54) DCTPP1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL532981 0.69 PIK3CA (0.64) KDM4EALDH1A1HSD17B10MAPTRAB9A
SCHEMBL15603322 0.66 FYN (0.50) DCTPP1FYN

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
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
CN-102388055-A Imidazo [2, 1-b] [ 1, 3, 4 ] thiadiazole derivatives CT NAC INVESTIGACIONES ONCOLOGICAS CNIO 2012-03-21 CN 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 DCTPP1 2705/4885FYN 1445/4885KDM4E 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.