SCHEMBL533516

SCHEMBL533516

NC(=O)c1cccc(-c2nn3cc(I)nc3s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.47
PDE7A Q13946 2/20 0.47
TP53 P04637 1/20 0.44
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
FYN P06241 6/20 0.39
NR4A2 P43354 1/20 0.39
ITGA2B P08514 1/20 0.39
PDE3A Q14432 2/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
CCNT1 O60563 1/20 0.38
CCND1 P24385 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 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
SCHEMBL2253625 0.78 TP53 (0.69) TP53CA12CA1CA2CA9
SCHEMBL532646 0.77 CA12 (0.45) TP53CA12CA1CA2CA9
SCHEMBL533515 0.75 FYN (0.49) PDE4DPDE7AFYNITGA2BCCNT1
SCHEMBL533328 0.74 PIK3CA (0.49) TP53CA12CA1CA2CA9
SCHEMBL532199 0.72 ALDH1A1 (0.61) CA12CA1CA2CA9EGFR
SCHEMBL532890 0.71 IKBKB (0.46) TP53CA12CA1CA2CA9
SCHEMBL2660108 0.70 PARP1 (0.47) PDE4DPDE7AFYNPDE3ACCNT1
SCHEMBL532982 0.70 MAPK1 (0.58)
SCHEMBL2431097 0.67 PARP1 (0.64) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL31422694 0.67 PARP1 (0.64) CCNT1CCND1CCNCCDK8CDK7

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 5 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
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 PDE4D 1474/4885PDE7A 1650/4885TP53 344/4885

“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.