SCHEMBL2121448

SCHEMBL2121448

COc1cc(-c2nn3c(-c4cnc(N)nc4)cnc3s2)ccc1OC1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 1.00
FYN P06241 7/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
RET P07949 1/20 0.42
KIF5B P33176 1/20 0.42
KDR P35968 1/20 0.42
ETV6 P41212 1/20 0.42
CCDC6 Q16204 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3714191 0.92 PIK3CA (0.85) PIK3CAFYNKDM4EALDH1A1HPGD
SCHEMBL2122629 0.89 PIK3CA (0.80) PIK3CAFYNKDM4EALDH1A1HPGD
SCHEMBL2122734 0.87 PIK3CA (0.76) PIK3CAFYNKDM4EALDH1A1HPGD
SCHEMBL532458 0.83 PIK3CA (0.71) PIK3CAFYNKDM4EALDH1A1HPGD
SCHEMBL2121456 0.83 PIK3CA (0.71) PIK3CAKDM4EALDH1A1HPGDHIF1A
SCHEMBL533110 0.83 PIK3CA (0.70) PIK3CAFYN
SCHEMBL16986790 0.81 PIK3CA (0.68) PIK3CAFYNKDM4EALDH1A1HPGD
SCHEMBL532633 0.79 PIK3CA (0.74) PIK3CAFYNKDM4EALDH1A1HPGD
SCHEMBL532217 0.78 PIK3CA (0.64) PIK3CAFYNKDM4EALDH1A1HPGD
SCHEMBL15975820 0.75 PIK3CA (0.59) PIK3CAFYN

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
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-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 PIK3CA 1/4885FYN 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.