SCHEMBL5553790

SCHEMBL5553790

CCOC(=O)c1c(C)nc2c(N3CCOCC3)nc(Cl)cn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALOX15 P16050 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ HCRTR1 O43613 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PIK3CA P42336 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PIK3R1 P27986 2/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41

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
SCHEMBL14667191 0.90 RXFP1 (0.49) RXFP1ALOX15TP53PIK3CAKDM4E
SCHEMBL5558842 0.85 PIK3CA (0.40) SMN1; SMN2PIK3CAKDM4EALDH1A1L3MBTL1
SCHEMBL6937081 0.81 SMN1; SMN2 (0.51) RXFP1ALOX15MAPK1SMN1; SMN2TP53
SCHEMBL24401994 0.80 DGAT1 (0.44) RXFP1ALOX15PIK3CAKDM4EALDH1A1
SCHEMBL20458887 0.77 PDE10A (0.41) MAPK1SMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL20458894 0.76 PIK3CD (0.45) MAPTPIK3CAKDM4EALDH1A1POLB
SCHEMBL10202169 0.76 PIK3CA (0.60) PIK3CAPIK3R1
SCHEMBL13153825 0.75 FLT3 (0.40) MAPTPIK3CAKDM4EALDH1A1POLB
SCHEMBL14322212 0.75 L3MBTL1 (0.48) RXFP1ALOX15MAPK1SMN1; SMN2TP53
SCHEMBL24402094 0.74 PIK3CA (0.45) RXFP1ALOX15TP53MAPTPIK3CA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 — — EP disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 — — US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 — — US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 — — US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 — — US disclosed
WO-2012052730-A1 USE OF PI3K INIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 — — WO disclosed
WO-2012052745-A1 COMBINATIONS OF PI3K INHIBITORS WITH A SECOND ANTI -TUMOR AGENT CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 — — WO disclosed
EP-2444084-A1 Use of PI3K inibitors for the treatment of obesity Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-04-25 — — EP disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 — — US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 — — 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-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA RXFP1 2309/4885ALOX15 3139/4885MAPK1 194/4885

“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.

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