SCHEMBL532197

SCHEMBL532197

COc1ccc(-c2nn3cc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)nc3s2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.49
CFTR P13569 2/20 0.47
GPR119 Q8TDV5 3/20 0.46
F2RL3 Q96RI0 2/20 0.43
GAK O14976 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CA P42336 2/20 0.41
RET P07949 4/20 0.40
PGK1 P00558 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 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
SCHEMBL2121138 0.87 PIK3CA (0.56) SMPD3CFTRF2RL3GAKKDM4E
SCHEMBL533183 0.85 PIK3CA (0.51) GAKKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL532196 0.84 PIK3CA (0.55) SMPD3CFTRGPR119GAKKDM4E
SCHEMBL533111 0.83 PIK3CA (0.51) SMPD3CFTRGPR119F2RL3KDM4E
SCHEMBL532218 0.83 TGFBR1 (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2123328 0.82 PDE4B (0.47) SMPD3CFTRGPR119KDM4EALDH1A1
SCHEMBL532711 0.78 PIK3CA (0.44) CFTRF2RL3PIK3CA
SCHEMBL532581 0.77 PIK3CA (0.59) F2RL3GAKKDM4EALDH1A1CYP1A2
SCHEMBL532634 0.76 KDM4E (0.62) F2RL3KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL30718255 0.75 CFTR (0.58) SMPD3CFTRGPR119KDM4EALDH1A1

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
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 SMPD3 520/4885CFTR 2067/4885GPR119 468/4885

“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.