SCHEMBL2121456

SCHEMBL2121456

COc1cc(-c2nn3cc(-c4cnc(N)nc4)nc3s2)ccc1OC1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.71
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
KDR P35968 1/20 0.40
ETV6 P41212 1/20 0.40
CCDC6 Q16204 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
HIF1A Q16665 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
SCHEMBL2122634 0.90 PIK3CA (0.59) PIK3CAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL2122737 0.88 PIK3CA (0.58) PIK3CARETKIF5BKDRETV6
SCHEMBL532459 0.84 PIK3CA (0.53) PIK3CAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL533111 0.83 PIK3CA (0.51) PIK3CAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2121448 0.83 PIK3CA (1.00) PIK3CAKDM4EALDH1A1HPGDMAPK1
SCHEMBL532218 0.79 TGFBR1 (0.46) PIK3CAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3714191 0.77 PIK3CA (0.85) PIK3CAKDM4EALDH1A1HPGDRET
SCHEMBL532634 0.76 KDM4E (0.62) PIK3CAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL532290 0.75 KDM4E (0.51) PIK3CAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL2122734 0.74 PIK3CA (0.76) PIK3CAKDM4EALDH1A1HPGDHIF1A

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 4 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

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 1/4885KDM4E 2479/4885ALDH1A1 1167/4885

“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.