SCHEMBL2123426

SCHEMBL2123426

COc1ccc(-c2nn3cc(-c4cnc(NCCN(C)C)nc4)nc3s2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PIK3CA P42336 3/20 0.42
KMT2A Q03164 2/20 0.40
RAD52 P43351 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.39
DCTPP1 Q9H773 1/20 0.39

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
SCHEMBL2123416 0.82 PIK3CA (0.58) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL532634 0.80 KDM4E (0.62) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL532290 0.79 KDM4E (0.51) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL2120460 0.77 KDM4E (0.49) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL532820 0.76 PIK3CA (0.51) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL532017 0.75 PIK3CA (0.67) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL533183 0.75 PIK3CA (0.51) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL532747 0.74 ALDH1A1 (0.64) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL532218 0.74 TGFBR1 (0.46) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL532335 0.74 CA12 (0.53) KDM4EALDH1A1MAPK1HPGDHSD17B10

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 3 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

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 2479/4885ALDH1A1 1167/4885MAPK1 191/4885

“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.