SCHEMBL532281

SCHEMBL532281

COc1ccc(-c2nn3cc(-c4cnc(N5CCN(C)CC5)c(C(F)(F)F)c4)nc3s2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.72
F2RL3 Q96RI0 5/20 0.45
CYP1A2 P05177 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
MET P08581 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAP4K1 Q92918 2/20 0.40
GAK O14976 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 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
SCHEMBL532220 0.91 PIK3CA (0.59) PIK3CAF2RL3CYP1A2MEN1KMT2A
SCHEMBL532581 0.90 PIK3CA (0.59) PIK3CAF2RL3CYP1A2MEN1KMT2A
SCHEMBL2121138 0.88 PIK3CA (0.56) PIK3CAF2RL3CYP1A2KDM4EALDH1A1
SCHEMBL533183 0.84 PIK3CA (0.51) PIK3CACYP1A2MEN1KMT2ACYP2D6
SCHEMBL532280 0.84 PIK3CA (1.00) PIK3CACYP1A2MEN1KMT2ACYP2D6
SCHEMBL15975825 0.78 PIK3CA (0.89) PIK3CACYP1A2MEN1KMT2ACYP2D6
SCHEMBL532634 0.76 KDM4E (0.62) PIK3CAF2RL3CYP1A2MEN1KMT2A
SCHEMBL2122737 0.75 PIK3CA (0.58) PIK3CAF2RL3PIK3CDPIK3CBPIK3CG
SCHEMBL532459 0.75 PIK3CA (0.53) PIK3CAF2RL3CYP1A2KDM4EALDH1A1
SCHEMBL532219 0.75 PIK3CA (0.82) PIK3CAMEN1KMT2AKDM4EDCTPP1

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 PIK3CA 1/4885F2RL3 2944/4885CYP1A2 672/4885

“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.